1058-0072 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

1058-0072 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
1058-0072 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1058-0072
(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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

1058-0072

Molecular Formula

C19H17ClN2O4S (C19 H17 ClN2 O4 S)

Compound Name

(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-[(2-methoxyphenyl)methylidene]-13-thiazolidine-24-dione

SMILES

COc1c(/C=C(\C(N2CNc(cc3)cc(Cl)c3OC)=O)/SC2=O)cccc1

InChI

InChI=1S/C19H17ClN2O4S/c1-25-15-6-4-3-5-12(15)9-17-18(23)22(19(24)27-17)11-21-13-7-8-16(26-2)14(20)10-13/h3-10,21H,11H2,1-2H3

InChI Key

ALYFXIPGIMLJPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.86

Polar Surface Area

56.016

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1058-0072 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1058-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1058-0072?
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What is the minimum amount of 1058-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1058-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1058-0072
  • 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 1058-0072 available by request