6158-0331 Screening compound: 3-{5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid

6158-0331 Screening compound: 3-{5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid
6158-0331 Screening compound: 3-{5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6158-0331
3-{5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic 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

6158-0331

Molecular Formula

C12H11ClN2O4S (C12 H11 ClN2 O4 S)

Compound Name

3-{5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid

IUPAC name

3-{5-[(4-chlorophenyl)amino]-24-dioxo-13-thiazolidin-3-yl}propanoic acid

SMILES

OC(CCN(C(C(Nc(cc1)ccc1Cl)S1)=O)C1=O)=O

InChI

InChI=1S/C12H11ClN2O4S/c13-7-1-3-8(4-2-7)14-10-11(18)15(12(19)20-10)6-5-9(16)17/h1-4,10,14H,5-6H2,(H,16,17)/t10-/m0/s1

InChI Key

AYBCGDRCUYIRES-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03131996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.350

Distribution Coefficient, logD

-1.183

Water Solubility, LogSw

-2.61

Polar Surface Area

67.629

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6158-0331 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6158-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6158-0331?
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What is the minimum amount of 6158-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6158-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6158-0331
  • 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 6158-0331 available by request