3270-0711 Screening compound: 5-(5-{[(2E,5Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

3270-0711 Screening compound: 5-(5-{[(2E,5Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
3270-0711 Screening compound: 5-(5-{[(2E,5Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0711
5-(5-{[(2E,5Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic 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

3270-0711

Molecular Formula

C29H21ClN2O4S (C29 H21 ClN2 O4 S)

Compound Name

5-(5-{[(2E,5Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

IUPAC name

5-(5-{[(2E5Z)-3-benzyl-2-(benzylimino)-4-oxo-13-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

SMILES

OC(c(cc(cc1)-c2ccc(/C=C(/C(N3Cc4ccccc4)=O)\S/C3=N/Cc3ccccc3)o2)c1Cl)=O

InChI

InChI=1S/C29H21ClN2O4S/c30-24-13-11-21(15-23(24)28(34)35)25-14-12-22(36-25)16-26-27(33)32(18-20-9-5-2-6-10-20)29(37-26)31-17-19-7-3-1-4-8-19/h1-16H,17-18H2,(H,34,35)

InChI Key

XGZQHNMKTVFDHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.440

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-6.05

Polar Surface Area

61.361

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3270-0711 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3270-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0711?
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What is the minimum amount of 3270-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0711
  • 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 3270-0711 available by request