1207-0034 Screening compound: 2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

1207-0034 Screening compound: 2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
1207-0034 Screening compound: 2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1207-0034
2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

1207-0034

Molecular Formula

C12H7BrClNO4S2 (C12 H7 BrClNO4 S2)

Compound Name

2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c2cc(Br)cc(Cl)c2O)=O)C1=S)=O

InChI

InChI=1S/C12H7BrClNO4S2/c13-6-1-5(10(18)7(14)3-6)2-8-11(19)15(4-9(16)17)12(20)21-8/h1-3,18H,4H2,(H,16,17)

InChI Key

PVHVMTYHMSBZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

-0.360

Water Solubility, LogSw

-3.18

Polar Surface Area

60.577

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1207-0034 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 1207-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1207-0034?
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What is the minimum amount of 1207-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1207-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1207-0034
  • 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 1207-0034 available by request