2368-0586 Screening compound: (2Z,5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(3,5-dimethylphenyl)imino]-1,3-thiazolidin-4-one

2368-0586 Screening compound: (2Z,5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(3,5-dimethylphenyl)imino]-1,3-thiazolidin-4-one
2368-0586 Screening compound: (2Z,5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(3,5-dimethylphenyl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0586
(2Z,5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(3,5-dimethylphenyl)imino]-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

2368-0586

Molecular Formula

C22H16BrN3O4S (C22 H16 BrN3 O4 S)

Compound Name

(2Z,5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(3,5-dimethylphenyl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2Z5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-[(35-dimethylphenyl)imino]-13-thiazolidin-4-one

SMILES

Cc1cc(/N=C(/NC2=O)\S/C2=C/c2ccc(-c(ccc([N+]([O-])=O)c3)c3Br)o2)cc(C)c1

InChI

InChI=1S/C22H16BrN3O4S/c1-12-7-13(2)9-14(8-12)24-22-25-21(27)20(31-22)11-16-4-6-19(30-16)17-5-3-15(26(28)29)10-18(17)23/h3-11H,1-2H3,(H,24,25,27)

InChI Key

IROBVWAQBXBRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.408

Distribution Coefficient, logD

6.408

Water Solubility, LogSw

-5.68

Polar Surface Area

74.104

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2368-0586 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2368-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0586?
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What is the minimum amount of 2368-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0586
  • 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 2368-0586 available by request