1013-0198 Screening compound: (2E,5E)-2-[(2-chlorophenyl)imino]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

1013-0198 Screening compound: (2E,5E)-2-[(2-chlorophenyl)imino]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
1013-0198 Screening compound: (2E,5E)-2-[(2-chlorophenyl)imino]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0198
(2E,5E)-2-[(2-chlorophenyl)imino]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

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

1013-0198

Molecular Formula

C17H11Br2ClN2O2S (C17 H11 Br2 ClN2 O2 S)

Compound Name

(2E,5E)-2-[(2-chlorophenyl)imino]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(2E5E)-2-[(2-chlorophenyl)imino]-5-[(35-dibromo-2-methoxyphenyl)methylidene]-13-thiazolidin-4-one

SMILES

COc(c(/C=C(\C(N1)=O)/S/C1=N/c(cccc1)c1Cl)cc(Br)c1)c1Br

InChI

InChI=1S/C17H11Br2ClN2O2S/c1-24-15-9(6-10(18)8-11(15)19)7-14-16(23)22-17(25-14)21-13-5-3-2-4-12(13)20/h2-8H,1H3,(H,21,22,23)

InChI Key

PVXYYZXDEDOTDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00659072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.93

Polar Surface Area

40.172

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1013-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0198?
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What is the minimum amount of 1013-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0198
  • 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 1013-0198 available by request