3232-1476 Screening compound: methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(1,3-thiazol-2-yl)carbamoyl]propyl}-1,3-thiazolidin-5-ylidene]methyl}benzoate

3232-1476 Screening compound: methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(1,3-thiazol-2-yl)carbamoyl]propyl}-1,3-thiazolidin-5-ylidene]methyl}benzoate
3232-1476 Screening compound: methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(1,3-thiazol-2-yl)carbamoyl]propyl}-1,3-thiazolidin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1476
methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(1,3-thiazol-2-yl)carbamoyl]propyl}-1,3-thiazolidin-5-ylidene]methyl}benzoate

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

3232-1476

Molecular Formula

C19H17N3O4S3 (C19 H17 N3 O4 S3)

Compound Name

methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(1,3-thiazol-2-yl)carbamoyl]propyl}-1,3-thiazolidin-5-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(5Z)-4-oxo-2-sulfanylidene-3-{3-[(13-thiazol-2-yl)carbamoyl]propyl}-13-thiazolidin-5-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C(/C(N2CCCC(Nc3nccs3)=O)=O)\SC2=S)cc1)=O

InChI

InChI=1S/C19H17N3O4S3/c1-26-17(25)13-6-4-12(5-7-13)11-14-16(24)22(19(27)29-14)9-2-3-15(23)21-18-20-8-10-28-18/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,23)

InChI Key

NFWVPRRYFFDYKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.48

Polar Surface Area

71.222

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3232-1476 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3232-1476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1476?
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What is the minimum amount of 3232-1476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1476
  • 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 3232-1476 available by request