8008-4129 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetonitrile

8008-4129 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetonitrile
8008-4129 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4129
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]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

8008-4129

Molecular Formula

C9H7N5S (C9 H7 N5 S)

Compound Name

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

IUPAC name

2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetonitrile

SMILES

N#CCSc1nnnn1-c1ccccc1

InChI

InChI=1S/C9H7N5S/c10-6-7-15-9-11-12-13-14(9)8-4-2-1-3-5-8/h1-5H,7H2

InChI Key

SZONRHOWLPRVJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00193250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.25

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

1.362

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-1.41

Polar Surface Area

57.652

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8008-4129 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-4129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4129?
Check Price and Availability of 8008-4129, 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 8008-4129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4129
  • 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 8008-4129 available by request