8018-1790 Screening compound: 2-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}benzonitrile

8018-1790 Screening compound: 2-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}benzonitrile
8018-1790 Screening compound: 2-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1790
2-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}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

8018-1790

Molecular Formula

C14H10N6 (C14 H10 N6)

Compound Name

2-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}benzonitrile

IUPAC name

2-{[5-(pyridin-4-yl)-2H-1234-tetrazol-2-yl]methyl}benzonitrile

SMILES

N#Cc1c(Cn2nnc(-c3ccncc3)n2)cccc1

InChI

InChI=1S/C14H10N6/c15-9-12-3-1-2-4-13(12)10-20-18-14(17-19-20)11-5-7-16-8-6-11/h1-8H,10H2

InChI Key

ZBJPCMMAOICRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.766

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-2.14

Polar Surface Area

64.826

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8018-1790 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 8018-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1790?
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What is the minimum amount of 8018-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1790
  • 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 8018-1790 available by request