P016-3995 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide

P016-3995 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
P016-3995 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P016-3995
N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-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

P016-3995

Molecular Formula

C23H19ClFN5O (C23 H19 ClFN5 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-1-(3-fluoro-2-methylphenyl)-5-(pyridin-2-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(c(F)ccc1)c1-n1nnc(C(NCCc(cc2)ccc2Cl)=O)c1-c1ncccc1

InChI

InChI=1S/C23H19ClFN5O/c1-15-18(25)5-4-7-20(15)30-22(19-6-2-3-13-26-19)21(28-29-30)23(31)27-14-12-16-8-10-17(24)11-9-16/h2-11,13H,12,14H2,1H3,(H,27,31)

InChI Key

DVVDEHRZRWYTJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.49

Polar Surface Area

58.841

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P016-3995 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with P016-3995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P016-3995?
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What is the minimum amount of P016-3995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P016-3995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P016-3995
  • 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 P016-3995 available by request