1207-0191 Screening compound: (5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

1207-0191 Screening compound: (5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
1207-0191 Screening compound: (5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1207-0191
(5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-4,5-dihydro-1,3-thiazol-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

1207-0191

Molecular Formula

C17H9BrClNO2S2 (C17 H9 BrClNO2 S2)

Compound Name

(5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5E)-2-(2-bromobenzoylsulfanyl)-5-[(4-chlorophenyl)methylidene]-45-dihydro-13-thiazol-4-one

SMILES

O=C(c(cccc1)c1Br)SC(S/C1=C/c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C17H9BrClNO2S2/c18-13-4-2-1-3-12(13)16(22)24-17-20-15(21)14(23-17)9-10-5-7-11(19)8-6-10/h1-9H

InChI Key

KQEVYYMVPMCVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-5.36

Polar Surface Area

35.979

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1207-0191 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 1207-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1207-0191?
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What is the minimum amount of 1207-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1207-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1207-0191
  • 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 1207-0191 available by request