P496-2004 Screening compound: 2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-phenylacetamide

P496-2004 Screening compound: 2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-phenylacetamide
P496-2004 Screening compound: 2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-2004
2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-phenylacetamide

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

P496-2004

Molecular Formula

C17H15FN4O (C17 H15 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1nc(Cc(cc2)ccc2F)n[nH]1)Nc1ccccc1

InChI

InChI=1S/C17H15FN4O/c18-13-8-6-12(7-9-13)10-15-20-16(22-21-15)11-17(23)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,23)(H,20,21,22)

InChI Key

ZVQRKVCUVVWQGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

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

2.740

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.21

Polar Surface Area

58.882

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with P496-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-2004?
Check Price and Availability of P496-2004, 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 P496-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-2004
  • 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 P496-2004 available by request