C095-0434 Screening compound: N-{4-METHYL-2-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]QUINOLIN-6-YL}-2-(4-METHYLPHENOXY)ACETAMIDE

C095-0434 Screening compound: N-{4-METHYL-2-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]QUINOLIN-6-YL}-2-(4-METHYLPHENOXY)ACETAMIDE
C095-0434 Screening compound: N-{4-METHYL-2-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]QUINOLIN-6-YL}-2-(4-METHYLPHENOXY)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0434
N-{4-METHYL-2-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]QUINOLIN-6-YL}-2-(4-METHYLPHENOXY)ACETAMIDE

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

C095-0434

Molecular Formula

C27H28N6O2 (C27 H28 N6 O2)

Compound Name

N-{4-METHYL-2-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]QUINOLIN-6-YL}-2-(4-METHYLPHENOXY)ACETAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1OCC(Nc1cc2c(C)cc(N(CC3)CCN3c3ncccn3)nc2cc1)=O

InChI

InChI=1S/C27H28N6O2/c1-19-4-7-22(8-5-19)35-18-26(34)30-21-6-9-24-23(17-21)20(2)16-25(31-24)32-12-14-33(15-13-32)27-28-10-3-11-29-27/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,34)

InChI Key

WCEWQAWWVOKDAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.747

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-5.51

Polar Surface Area

63.485

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C095-0434 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C095-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0434?
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What is the minimum amount of C095-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0434
  • 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 C095-0434 available by request