C301-3950 Screening compound: N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C301-3950 Screening compound: N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C301-3950 Screening compound: N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3950
N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

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

C301-3950

Molecular Formula

C27H22F3N7O (C27 H22 F3 N7 O)

Compound Name

N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

N-(3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

O=C(c1cc(Nc2nc(cccc3)c3n3c2nnc3)ccc1)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H22F3N7O/c28-27(29,30)19-6-4-8-21(16-19)35-11-13-36(14-12-35)26(38)18-5-3-7-20(15-18)32-24-25-34-31-17-37(25)23-10-2-1-9-22(23)33-24/h1-10,15-17H,11-14H2,(H,32,33)

InChI Key

FUQLKIIZVCTDGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.36

Polar Surface Area

59.987

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C301-3950 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3950?
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What is the minimum amount of C301-3950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3950
  • 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 C301-3950 available by request