F414-0920 Screening compound: 5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

F414-0920 Screening compound: 5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
F414-0920 Screening compound: 5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0920
5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

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

F414-0920

Molecular Formula

C23H17ClF3N5O2 (C23 H17 ClF3 N5 O2)

Compound Name

5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-{[4-(benzyloxy)phenyl]amino}-N-[2-chloro-5-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(Nc(cc2)ccc2OCc2ccccc2)[nH]nn1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C23H17ClF3N5O2/c24-18-11-6-15(23(25,26)27)12-19(18)29-22(33)20-21(31-32-30-20)28-16-7-9-17(10-8-16)34-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,29,33)(H2,28,30,31,32)

InChI Key

YPPRHSOHYMDDRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.472

Water Solubility, LogSw

-6.09

Polar Surface Area

76.085

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F414-0920 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F414-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0920?
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What is the minimum amount of F414-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0920
  • 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 F414-0920 available by request