C614-5920 Screening compound: 2-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

C614-5920 Screening compound: 2-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one
C614-5920 Screening compound: 2-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5920
2-(2,6-dimethylphenyl)-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

C614-5920

Molecular Formula

C19H20FN3O (C19 H20 FN3 O)

Compound Name

2-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

IUPAC name

2-(26-dimethylphenyl)-3-(4-fluorophenyl)-hexahydropyrazolo[12-a][124]triazol-1-one

SMILES

Cc1cccc(C)c1N(C(c(cc1)ccc1F)N1N2CCC1)C2=O

InChI

InChI=1S/C19H20FN3O/c1-13-5-3-6-14(2)17(13)23-18(15-7-9-16(20)10-8-15)21-11-4-12-22(21)19(23)24/h3,5-10,18H,4,11-12H2,1-2H3

InChI Key

PRHWKSJBLUVYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.02

Polar Surface Area

22.638

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C614-5920 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C614-5920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5920?
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What is the minimum amount of C614-5920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5920
  • 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 C614-5920 available by request