C202-3031 Screening compound: 3-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-7-(FURAN-2-YL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

C202-3031 Screening compound: 3-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-7-(FURAN-2-YL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE
C202-3031 Screening compound: 3-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-7-(FURAN-2-YL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3031
3-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-7-(FURAN-2-YL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

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

C202-3031

Molecular Formula

C22H15BrN2O3S (C22 H15 BrN2 O3 S)

Compound Name

3-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-7-(FURAN-2-YL)-1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE

IUPAC name

n/a

SMILES

O=C(CC(C1)c2ccco2)C(C=C2c3nc(-c(cc4)ccc4Br)cs3)=C1NC2=O

InChI

InChI=1S/C22H15BrN2O3S/c23-14-5-3-12(4-6-14)18-11-29-22(25-18)16-10-15-17(24-21(16)27)8-13(9-19(15)26)20-2-1-7-28-20/h1-7,10-11,13H,8-9H2,(H,24,27)/t13-/m0/s1

InChI Key

HCPSOVDDZFCKBC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14731449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-5.65

Polar Surface Area

56.104

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C202-3031 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-3031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3031?
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What is the minimum amount of C202-3031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3031
  • 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 C202-3031 available by request