C095-0424 Screening compound: 3,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

C095-0424 Screening compound: 3,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
C095-0424 Screening compound: 3,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0424
3,4-dimethoxy-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

C095-0424

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

3,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

IUPAC name

34-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

SMILES

Cc1c(cc(cc2)NC(c(cc3)cc(OC)c3OC)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C27H28N6O3/c1-18-15-25(32-11-13-33(14-12-32)27-28-9-4-10-29-27)31-22-7-6-20(17-21(18)22)30-26(34)19-5-8-23(35-2)24(16-19)36-3/h4-10,15-17H,11-14H2,1-3H3,(H,30,34)

InChI Key

MOOXDPTWGJHXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.76

Polar Surface Area

71.460

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C095-0424 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C095-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0424?
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What is the minimum amount of C095-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0424
  • 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 C095-0424 available by request