G786-1081 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

G786-1081 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
G786-1081 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1081
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

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

G786-1081

Molecular Formula

C16H13N3O2S3 (C16 H13 N3 O2 S3)

Compound Name

N-(4-methyl-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-(4-methyl-13-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

Cc1csc(NC(CN(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)n1

InChI

InChI=1S/C16H13N3O2S3/c1-10-9-23-15(17-10)18-13(20)8-19-14(21)12(24-16(19)22)7-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,17,18,20)

InChI Key

KCYKQTVMHOGCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.57

Polar Surface Area

49.445

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G786-1081 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1081?
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What is the minimum amount of G786-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1081
  • 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 G786-1081 available by request