C370-3231 Screening compound: 3-[(5Z)-5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

C370-3231 Screening compound: 3-[(5Z)-5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
C370-3231 Screening compound: 3-[(5Z)-5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-3231
3-[(5Z)-5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

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

C370-3231

Molecular Formula

C23H18N2O3S2 (C23 H18 N2 O3 S2)

Compound Name

3-[(5Z)-5-{[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

IUPAC name

3-[(5Z)-5-{[1-(26-dimethylphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzoic acid

SMILES

Cc1cccc(C)c1-n1c(/C=C(/C(N2c3cc(C(O)=O)ccc3)=O)\SC2=S)ccc1

InChI

InChI=1S/C23H18N2O3S2/c1-14-6-3-7-15(2)20(14)24-11-5-10-17(24)13-19-21(26)25(23(29)30-19)18-9-4-8-16(12-18)22(27)28/h3-13H,1-2H3,(H,27,28)

InChI Key

GYERWAQYRZSXRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-5.33

Polar Surface Area

46.167

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C370-3231 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C370-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3231
  • 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 C370-3231 available by request