3793-4510 Screening compound: 3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

3793-4510 Screening compound: 3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
3793-4510 Screening compound: 3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-4510
3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}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

3793-4510

Molecular Formula

C20H15BrN2O4S2 (C20 H15 BrN2 O4 S2)

Compound Name

3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

IUPAC name

3-{3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamido}benzoic acid

SMILES

OC(c1cccc(NC(CCN(C(/C(/S2)=C\c3cccc(Br)c3)=O)C2=S)=O)c1)=O

InChI

InChI=1S/C20H15BrN2O4S2/c21-14-5-1-3-12(9-14)10-16-18(25)23(20(28)29-16)8-7-17(24)22-15-6-2-4-13(11-15)19(26)27/h1-6,9-11H,7-8H2,(H,22,24)(H,26,27)

InChI Key

ZOWJNTFPIXAIOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-4.38

Polar Surface Area

67.978

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3793-4510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-4510?
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What is the minimum amount of 3793-4510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-4510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-4510
  • 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 3793-4510 available by request