C167-0238 Screening compound: N~4~-[4-(aminosulfonyl)phenyl]-2-(5-bromo-2-thienyl)-4-quinolinecarboxamide

C167-0238 Screening compound: N~4~-[4-(aminosulfonyl)phenyl]-2-(5-bromo-2-thienyl)-4-quinolinecarboxamide
C167-0238 Screening compound: N~4~-[4-(aminosulfonyl)phenyl]-2-(5-bromo-2-thienyl)-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0238
N~4~-[4-(aminosulfonyl)phenyl]-2-(5-bromo-2-thienyl)-4-quinolinecarboxamide

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

C167-0238

Molecular Formula

C20H14BrN3O3S2 (C20 H14 BrN3 O3 S2)

Compound Name

N~4~-[4-(aminosulfonyl)phenyl]-2-(5-bromo-2-thienyl)-4-quinolinecarboxamide

IUPAC name

2-(5-bromothiophen-2-yl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide

SMILES

NS(c(cc1)ccc1NC(c1cc(-c(s2)ccc2Br)nc2ccccc12)=O)(=O)=O

InChI

InChI=1S/C20H14BrN3O3S2/c21-19-10-9-18(28-19)17-11-15(14-3-1-2-4-16(14)24-17)20(25)23-12-5-7-13(8-6-12)29(22,26)27/h1-11H,(H,23,25)(H2,22,26,27)

InChI Key

QKZLIYXCLGASFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.49

Polar Surface Area

83.010

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C167-0238 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C167-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0238?
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What is the minimum amount of C167-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0238
  • 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 C167-0238 available by request