C095-0347 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

C095-0347 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
C095-0347 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0347
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]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

C095-0347

Molecular Formula

C23H26BrF3N6O (C23 H26 BrF3 N6 O)

Compound Name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

IUPAC name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(Cn3nc(C(F)(F)F)c(Br)c3C)=O)c2n1

InChI

InChI=1S/C23H26BrF3N6O/c1-4-31-7-9-32(10-8-31)19-11-14(2)17-12-16(5-6-18(17)29-19)28-20(34)13-33-15(3)21(24)22(30-33)23(25,26)27/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,28,34)

InChI Key

DHZXFRGFMGYVHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.4

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

4.696

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.32

Polar Surface Area

52.647

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C095-0347 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 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
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C095-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0347?
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What is the minimum amount of C095-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0347
  • 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 C095-0347 available by request