C095-0431 Screening compound: 2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide

C095-0431 Screening compound: 2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide
C095-0431 Screening compound: 2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0431
2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide

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

C095-0431

Molecular Formula

C31H34N6O (C31 H34 N6 O)

Compound Name

2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide

IUPAC name

2-cyclopentyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-2-phenylacetamide

SMILES

Cc1c(cc(cc2)NC(C(C3CCCC3)c3ccccc3)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C31H34N6O/c1-22-20-28(36-16-18-37(19-17-36)31-32-14-7-15-33-31)35-27-13-12-25(21-26(22)27)34-30(38)29(24-10-5-6-11-24)23-8-3-2-4-9-23/h2-4,7-9,12-15,20-21,24,29H,5-6,10-11,16-19H2,1H3,(H,34,38)/t29-/m0/s1

InChI Key

ZFZHOARIBNBSCC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14719170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.792

Distribution Coefficient, logD

6.791

Water Solubility, LogSw

-5.66

Polar Surface Area

56.485

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

C095-0431 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C095-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0431?
Check Price and Availability of C095-0431, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C095-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0431
  • 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 C095-0431 available by request