3229-0331 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0331 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0331 Screening compound: (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0331
(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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

3229-0331

Molecular Formula

C20H10Cl2N2O4S2 (C20 H10 Cl2 N2 O4 S2)

Compound Name

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(3-chlorophenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc1)cc(-c2ccc(/C=C(\C(N3c4cc(Cl)ccc4)=O)/SC3=S)o2)c1Cl)=O

InChI

InChI=1S/C20H10Cl2N2O4S2/c21-11-2-1-3-12(8-11)23-19(25)18(30-20(23)29)10-14-5-7-17(28-14)15-9-13(24(26)27)4-6-16(15)22/h1-10H

InChI Key

DVQKVGFIXBPGQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.248

Distribution Coefficient, logD

6.248

Water Solubility, LogSw

-6.44

Polar Surface Area

56.782

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-0331 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3229-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0331?
Check Price and Availability of 3229-0331, 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 3229-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0331
  • 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 3229-0331 available by request