G786-1217 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

G786-1217 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
G786-1217 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1217
N-(4-methyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G786-1217

Molecular Formula

C21H21N3O2S3 (C21 H21 N3 O2 S3)

Compound Name

N-(4-methyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

IUPAC name

N-(4-methyl-13-thiazol-2-yl)-4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanamide

SMILES

C/C(/C=C(/C(N1CCCC(Nc2nc(C)cs2)=O)=O)\SC1=S)=C\c1ccccc1

InChI

InChI=1S/C21H21N3O2S3/c1-14(11-16-7-4-3-5-8-16)12-17-19(26)24(21(27)29-17)10-6-9-18(25)23-20-22-15(2)13-28-20/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,22,23,25)

InChI Key

YKCGKARPVPNQSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04423530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.20

Polar Surface Area

49.423

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G786-1217 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G786-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1217?
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What is the minimum amount of G786-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1217
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G786-1217 available by request