C370-3248 Screening compound: 3-[(5Z)-5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

C370-3248 Screening compound: 3-[(5Z)-5-{[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
C370-3248 Screening compound: 3-[(5Z)-5-{[1-(3-chloro-4-methoxyphenyl)-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 C370-3248
3-[(5Z)-5-{[1-(3-chloro-4-methoxyphenyl)-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

C370-3248

Molecular Formula

C22H15ClN2O4S2 (C22 H15 ClN2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-n1c(/C=C(/C(N2c3cc(C(O)=O)ccc3)=O)\SC2=S)ccc1)c1)c1Cl

InChI

InChI=1S/C22H15ClN2O4S2/c1-29-18-8-7-15(11-17(18)23)24-9-3-6-14(24)12-19-20(26)25(22(30)31-19)16-5-2-4-13(10-16)21(27)28/h2-12H,1H3,(H,27,28)

InChI Key

VDLSYQCLLBAJFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-5.36

Polar Surface Area

54.399

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C370-3248 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-3248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-3248?
Check Price and Availability of C370-3248, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C370-3248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-3248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-3248
  • 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 C370-3248 available by request