3232-0776 Screening compound: 2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid

3232-0776 Screening compound: 2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
3232-0776 Screening compound: 2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-0776
2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)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

3232-0776

Molecular Formula

C28H24N4O8S4 (C28 H24 N4 O8 S4)

Compound Name

2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid

IUPAC name

2-(4-{5-[(5E)-3-{3-[(2-carboxyphenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}butanamido)benzoic acid

SMILES

OC(c(cccc1)c1NC(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc(cccc3)c3C(O)=O)=O)=O)\SC2=S)=O)C1=S)=O)=O

InChI

InChI=1S/C28H24N4O8S4/c33-19(29-17-9-3-1-7-15(17)25(37)38)11-5-13-31-23(35)21(43-27(31)41)22-24(36)32(28(42)44-22)14-6-12-20(34)30-18-10-4-2-8-16(18)26(39)40/h1-4,7-10H,5-6,11-14H2,(H,29,33)(H,30,34)(H,37,38)(H,39,40)

InChI Key

BSKMIMJIBZAUHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

672.78

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

-1.268

Water Solubility, LogSw

-3.54

Polar Surface Area

134.594

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3232-0776 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3232-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-0776?
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What is the minimum amount of 3232-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-0776
  • 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 3232-0776 available by request