C370-3262 Screening compound: 3-[(5Z)-5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

C370-3262 Screening compound: 3-[(5Z)-5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
C370-3262 Screening compound: 3-[(5Z)-5-{[1-(2-chloro-5-nitrophenyl)-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 C370-3262
3-[(5Z)-5-{[1-(2-chloro-5-nitrophenyl)-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

C370-3262

Molecular Formula

C21H12ClN3O5S2 (C21 H12 ClN3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(-n2c(/C=C(/C(N3c4cc(C(O)=O)ccc4)=O)\SC3=S)ccc2)c1Cl)=O

InChI

InChI=1S/C21H12ClN3O5S2/c22-16-7-6-15(25(29)30)10-17(16)23-8-2-5-13(23)11-18-19(26)24(21(31)32-18)14-4-1-3-12(9-14)20(27)28/h1-11H,(H,27,28)

InChI Key

QTPIIQWIZZPRJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.93

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-5.49

Polar Surface Area

79.849

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C370-3262 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C370-3262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-3262?
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What is the minimum amount of C370-3262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3262
  • 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 C370-3262 available by request