C167-0289 Screening compound: 2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide

C167-0289 Screening compound: 2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide
C167-0289 Screening compound: 2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0289
2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide

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

C167-0289

Molecular Formula

C25H22BrN3O3S2 (C25 H22 BrN3 O3 S2)

Compound Name

2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide

IUPAC name

2-(5-bromothiophen-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]quinoline-4-carboxamide

SMILES

O=C(c1cc(-c(s2)ccc2Br)nc2ccccc12)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C25H22BrN3O3S2/c26-24-13-12-23(33-24)22-16-20(19-6-2-3-7-21(19)28-22)25(30)27-17-8-10-18(11-9-17)34(31,32)29-14-4-1-5-15-29/h2-3,6-13,16H,1,4-5,14-15H2,(H,27,30)

InChI Key

UOHGMSPXBQZLMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.170

Distribution Coefficient, logD

6.170

Water Solubility, LogSw

-6.13

Polar Surface Area

64.118

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C167-0289 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C167-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0289?
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What is the minimum amount of C167-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0289
  • 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 C167-0289 available by request