1331-0056 Screening compound: N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide

1331-0056 Screening compound: N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide
1331-0056 Screening compound: N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1331-0056
N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide

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

1331-0056

Molecular Formula

C17H10BrClN2O2S2 (C17 H10 BrClN2 O2 S2)

Compound Name

N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide

IUPAC name

N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-4-chlorobenzamide

SMILES

O=C(c(cc1)ccc1Cl)NN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S

InChI

InChI=1S/C17H10BrClN2O2S2/c18-12-3-1-2-10(8-12)9-14-16(23)21(17(24)25-14)20-15(22)11-4-6-13(19)7-5-11/h1-9H,(H,20,22)

InChI Key

PPXJEWLVKOPPFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.82

Polar Surface Area

42.844

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-12.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1331-0056 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1331-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1331-0056?
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What is the minimum amount of 1331-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1331-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1331-0056
  • 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 1331-0056 available by request