C095-0427 Screening compound: 5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

C095-0427 Screening compound: 5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
C095-0427 Screening compound: 5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0427
5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

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

C095-0427

Molecular Formula

C25H22BrClN6O (C25 H22 BrClN6 O)

Compound Name

5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

IUPAC name

5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

SMILES

Cc1c(cc(cc2)NC(c(cc(cc3)Br)c3Cl)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C25H22BrClN6O/c1-16-13-23(32-9-11-33(12-10-32)25-28-7-2-8-29-25)31-22-6-4-18(15-19(16)22)30-24(34)20-14-17(26)3-5-21(20)27/h2-8,13-15H,9-12H2,1H3,(H,30,34)

InChI Key

XZSAAUDETJFKMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.719

Distribution Coefficient, logD

6.625

Water Solubility, LogSw

-6.44

Polar Surface Area

56.199

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C095-0427 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C095-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0427?
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What is the minimum amount of C095-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0427
  • 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 C095-0427 available by request