1499-0853 Screening compound: 5-{(E)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one

1499-0853 Screening compound: 5-{(E)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one
1499-0853 Screening compound: 5-{(E)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-0853
5-{(E)-1-[5-(4-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

1499-0853

Molecular Formula

C14H8BrNO2S2 (C14 H8 BrNO2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)NC1=S

InChI

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

InChI Key

MERSOXJRJWZSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00428458

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

3.814

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-4.29

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

1499-0853 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1499-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-0853?
Check Price and Availability of 1499-0853, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1499-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-0853
  • 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 1499-0853 available by request