CAS No.: 312917-14-9 — TCS JNK 5a (JNK Inhibitor IX)

1. Primary Information

English name:	TCS JNK 5a
CAS No.:	312917-14-9
Molecular formula:	C₂₀H₁₆N₂OS
Molecular weight:	332.4 g/mol
SMILES:	C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	2mg	98%	200	RT	in stock	-
Kehua Intelligence	5mg	98%	280	RT	in stock	-
Kehua Intelligence	10mg	98%	480	RT	in stock	-
Kehua Intelligence	25mg	98%	1120	RT	in stock	-
Kehua Intelligence	50mg	98%	1760	RT	in stock	-
Kehua Intelligence	100mg	98%	3360	RT	in stock	-
Kehua Intelligence	200mg	98%	6320	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 43 0 0 0 0 0 0 0999 V2000 2.0621 -1.5076 0.4539 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -1.9469 0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 0.2283 0.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 3.5015 -0.4383 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 0.1919 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0237 -1.2666 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0566 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 -1.9159 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7102 0.3748 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -0.9828 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 0.9861 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 0.0771 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -0.7536 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 -0.2808 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 2.3754 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -0.2749 -0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 0.1894 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 0.1483 2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -0.7112 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 0.6256 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 0.6045 2.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3371 0.2038 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 -0.6899 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -0.2332 -2.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 0.6110 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3801 0.2194 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 -1.8477 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8866 -1.2955 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 1.2600 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 2.0201 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -2.1542 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 -2.8573 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2533 1.1779 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.1357 3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 -1.0762 -1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8774 0.9864 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3041 0.9447 3.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3597 0.5566 -0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -1.0301 -3.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6066 -0.2169 -3.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 4 15 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide

4.2 InChI

InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)