4760-1067 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione

4760-1067 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione
4760-1067 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4760-1067
(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione

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

4760-1067

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-{[25-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(\C(N2c3ccccc3)=O)/SC2=O)c(C)n1-c1ccncc1

InChI

InChI=1S/C21H17N3O2S/c1-14-12-16(15(2)23(14)18-8-10-22-11-9-18)13-19-20(25)24(21(26)27-19)17-6-4-3-5-7-17/h3-13H,1-2H3

InChI Key

PVQBHOUYVVSZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

1.941

Water Solubility, LogSw

-3.50

Polar Surface Area

41.077

Acid Dissociation Constant (pKa)

30.26

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4760-1067 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 4760-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4760-1067?
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What is the minimum amount of 4760-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4760-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4760-1067
  • 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 4760-1067 available by request