F152-0061 Screening compound: (4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0061 Screening compound: (4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0061 Screening compound: (4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0061
(4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

F152-0061

Molecular Formula

C17H13ClFN3O2 (C17 H13 ClFN3 O2)

Compound Name

(4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

(4-chlorophenyl)methyl 1-(4-fluorophenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc(cc2)ccc2Cl)=O)nnn1-c(cc1)ccc1F

InChI

InChI=1S/C17H13ClFN3O2/c1-11-16(17(23)24-10-12-2-4-13(18)5-3-12)20-21-22(11)15-8-6-14(19)7-9-15/h2-9H,10H2,1H3

InChI Key

WFIKBGYXFNBEEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.87

Polar Surface Area

47.939

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F152-0061 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F152-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0061?
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What is the minimum amount of F152-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0061
  • 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 F152-0061 available by request