F152-0032 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0032 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0032 Screening compound: [3-(trifluoromethyl)phenyl]methyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0032
[3-(trifluoromethyl)phenyl]methyl 1-(4-chlorophenyl)-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

F152-0032

Molecular Formula

C18H13ClF3N3O2 (C18 H13 ClF3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OCc2cc(C(F)(F)F)ccc2)=O)nnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H13ClF3N3O2/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

IQNIWERHVUJQDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.77

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

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.72

Polar Surface Area

47.939

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with F152-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0032?
Check Price and Availability of F152-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F152-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0032
  • 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 F152-0032 available by request