8018-1695 Screening compound: 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

8018-1695 Screening compound: 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
8018-1695 Screening compound: 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1695
2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

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

8018-1695

Molecular Formula

C10H8N4 (C10 H8 N4)

Compound Name

2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

IUPAC name

2-(5-phenyl-4H-124-triazol-3-yl)acetonitrile

SMILES

N#CCc1nnc(-c2ccccc2)[nH]1

InChI

InChI=1S/C10H8N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,13,14)

InChI Key

DDXUUSTVPHVENY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06654838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

1.090

Water Solubility, LogSw

-1.26

Polar Surface Area

52.506

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-1695 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-1695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1695?
Check Price and Availability of 8018-1695, 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 8018-1695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1695
  • 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 8018-1695 available by request