8018-9492 Screening compound: 2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetonitrile

8018-9492 Screening compound: 2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetonitrile
8018-9492 Screening compound: 2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9492
2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-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

8018-9492

Molecular Formula

C10H9N5S (C10 H9 N5 S)

Compound Name

2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetonitrile

IUPAC name

2-{5-[4-(methylsulfanyl)phenyl]-2H-1234-tetrazol-2-yl}acetonitrile

SMILES

CSc(cc1)ccc1-c1nn(CC#N)nn1

InChI

InChI=1S/C10H9N5S/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,7H2,1H3

InChI Key

XBKKZYSIXMOQTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.06

Polar Surface Area

56.083

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-9492 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 8018-9492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9492?
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What is the minimum amount of 8018-9492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9492
  • 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 8018-9492 available by request