1013-0090 Screening compound: 5-{(Z)-1-[5-(3-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one

1013-0090 Screening compound: 5-{(Z)-1-[5-(3-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one
1013-0090 Screening compound: 5-{(Z)-1-[5-(3-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0090
5-{(Z)-1-[5-(3-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-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

1013-0090

Molecular Formula

C14H8BrNO2S2 (C14 H8 BrNO2 S2)

Compound Name

5-{(Z)-1-[5-(3-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one

IUPAC name

(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C/c2ccc(-c3cccc(Br)c3)o2)NC1=S

InChI

InChI=1S/C14H8BrNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)

InChI Key

BULCEYFQKFSZFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-4.12

Polar Surface Area

32.470

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1013-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1013-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0090?
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What is the minimum amount of 1013-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0090
  • 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 1013-0090 available by request