P496-2664 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

P496-2664 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
P496-2664 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-2664
N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

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

P496-2664

Molecular Formula

C17H13ClF2N4O (C17 H13 ClF2 N4 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{3-[(2-fluorophenyl)methyl]-1H-124-triazol-5-yl}acetamide

SMILES

O=C(Cc1nc(Cc(cccc2)c2F)n[nH]1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C17H13ClF2N4O/c18-12-8-11(5-6-14(12)20)21-17(25)9-16-22-15(23-24-16)7-10-3-1-2-4-13(10)19/h1-6,8H,7,9H2,(H,21,25)(H,22,23,24)

InChI Key

PGXFVVSWHQDDFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.893

Water Solubility, LogSw

-4.36

Polar Surface Area

58.882

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P496-2664 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P496-2664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-2664?
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What is the minimum amount of P496-2664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-2664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-2664
  • 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 P496-2664 available by request