V028-8647 Screening compound: N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-1,2,4-triazole-3-carboxamide

V028-8647 Screening compound: N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-1,2,4-triazole-3-carboxamide
V028-8647 Screening compound: N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8647
N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-1,2,4-triazole-3-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

V028-8647

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-methyl-1-(2-methylphenyl)-5-(2-phenylethyl)-N-(prop-2-en-1-yl)-1H-124-triazole-3-carboxamide

SMILES

Cc(cccc1)c1-n1nc(C(N(C)CC=C)=O)nc1CCc1ccccc1

InChI

InChI=1S/C22H24N4O/c1-4-16-25(3)22(27)21-23-20(15-14-18-11-6-5-7-12-18)26(24-21)19-13-9-8-10-17(19)2/h4-13H,1,14-16H2,2-3H3

InChI Key

KWXPSBZIEFQUDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287686

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.41

Polar Surface Area

40.965

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V028-8647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8647?
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What is the minimum amount of V028-8647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8647
  • 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 V028-8647 available by request