8020-5417 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

8020-5417 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile
8020-5417 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5417
4-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

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

8020-5417

Molecular Formula

C8H5N5 (C8 H5 N5)

Compound Name

4-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

IUPAC name

4-(1H-1234-tetrazol-1-yl)benzonitrile

SMILES

N#Cc(cc1)ccc1-n1nnnc1

InChI

InChI=1S/C8H5N5/c9-5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H

InChI Key

ABMSFLLXFJMTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

171.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.102

Distribution Coefficient, logD

1.102

Water Solubility, LogSw

-1.15

Polar Surface Area

57.060

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-5417 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8020-5417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5417?
Check Price and Availability of 8020-5417, 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 8020-5417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5417
  • 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 8020-5417 available by request