F152-0065 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0065 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0065 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0065
[3-(trifluoromethyl)phenyl]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

F152-0065

Molecular Formula

C18H13F4N3O2 (C18 H13 F4 N3 O2)

Compound Name

[3-(trifluoromethyl)phenyl]methyl 1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

[3-(trifluoromethyl)phenyl]methyl 1-(4-fluorophenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc2cc(C(F)(F)F)ccc2)=O)nnn1-c(cc1)ccc1F

InChI

InChI=1S/C18H13F4N3O2/c1-11-16(23-24-25(11)15-7-5-14(19)6-8-15)17(26)27-10-12-3-2-4-13(9-12)18(20,21)22/h2-9H,10H2,1H3

InChI Key

HWMGMNQPZYAMJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.10

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

16.70

References: we are preparing a list of scientific research reports with F152-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0065?
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What is the minimum amount of F152-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0065
  • 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 F152-0065 available by request