2712-5261 Screening compound: 3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide

2712-5261 Screening compound: 3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
2712-5261 Screening compound: 3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-5261
3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide

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

2712-5261

Molecular Formula

C20H13N3O2S3 (C20 H13 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(N(C(/C(/S2)=C/c3ccccc3)=O)C2=S)c1)Nc1nccs1

InChI

InChI=1S/C20H13N3O2S3/c24-17(22-19-21-9-10-27-19)14-7-4-8-15(12-14)23-18(25)16(28-20(23)26)11-13-5-2-1-3-6-13/h1-12H,(H,21,22,24)

InChI Key

QHIRLSKFDOGOHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

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

4.161

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.44

Polar Surface Area

49.401

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2712-5261 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2712-5261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-5261?
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What is the minimum amount of 2712-5261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-5261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-5261
  • 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 2712-5261 available by request