V016-9328 Screening compound: 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(prop-2-yn-1-yl)-1H-1,2,4-triazole-3-carboxamide

V016-9328 Screening compound: 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(prop-2-yn-1-yl)-1H-1,2,4-triazole-3-carboxamide
V016-9328 Screening compound: 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(prop-2-yn-1-yl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9328
5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(prop-2-yn-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

V016-9328

Molecular Formula

C18H16N4O2 (C18 H16 N4 O2)

Compound Name

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

IUPAC name

5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(prop-2-yn-1-yl)-1H-124-triazole-3-carboxamide

SMILES

Cc(cc1)ccc1-n1nc(C(N(C)CC#C)=O)nc1-c1cocc1

InChI

InChI=1S/C18H16N4O2/c1-4-10-21(3)18(23)16-19-17(14-9-11-24-12-14)22(20-16)15-7-5-13(2)6-8-15/h1,5-9,11-12H,10H2,2-3H3

InChI Key

RXNLXLQDNGCUMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287414

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.04

Polar Surface Area

48.093

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V016-9328 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V016-9328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9328?
Check Price and Availability of V016-9328, 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 V016-9328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9328
  • 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 V016-9328 available by request