V002-1816 Screening compound: 1-[1-(3-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide

V002-1816 Screening compound: 1-[1-(3-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
V002-1816 Screening compound: 1-[1-(3-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1816
1-[1-(3-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]piperidine-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

V002-1816

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

1-[1-(3-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide

IUPAC name

1-[1-(3-methylphenyl)-5-phenyl-1H-124-triazole-3-carbonyl]piperidine-4-carboxamide

SMILES

Cc1cccc(-n2nc(C(N(CC3)CCC3C(N)=O)=O)nc2-c2ccccc2)c1

InChI

InChI=1S/C22H23N5O2/c1-15-6-5-9-18(14-15)27-21(17-7-3-2-4-8-17)24-20(25-27)22(29)26-12-10-16(11-13-26)19(23)28/h2-9,14,16H,10-13H2,1H3,(H2,23,28)

InChI Key

BVLGLVOSGHCRHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287242

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.10

Polar Surface Area

74.596

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V002-1816 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V002-1816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1816?
Check Price and Availability of V002-1816, 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 V002-1816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1816
  • 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 V002-1816 available by request