C614-5924 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

C614-5924 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one
C614-5924 Screening compound: 2-{[1,1'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5924
2-{[1,1'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

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

C614-5924

Molecular Formula

C23H20FN3O (C23 H20 FN3 O)

Compound Name

2-{[1,1'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

IUPAC name

2-{[11'-biphenyl]-4-yl}-3-(4-fluorophenyl)-hexahydropyrazolo[12-a][124]triazol-1-one

SMILES

O=C(N(CCC1)N1C1c(cc2)ccc2F)N1c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C23H20FN3O/c24-20-11-7-19(8-12-20)22-25-15-4-16-26(25)23(28)27(22)21-13-9-18(10-14-21)17-5-2-1-3-6-17/h1-3,5-14,22H,4,15-16H2/t22-/m0/s1

InChI Key

URHHERWIXKZFTE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14776743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-5.08

Polar Surface Area

22.968

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C614-5924 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C614-5924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5924?
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What is the minimum amount of C614-5924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5924
  • 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 C614-5924 available by request