8014-8665 Screening compound: 4,5,6-trimethyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile

8014-8665 Screening compound: 4,5,6-trimethyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile
8014-8665 Screening compound: 4,5,6-trimethyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8665
4,5,6-trimethyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile

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

8014-8665

Molecular Formula

C16H14N6S (C16 H14 N6 S)

Compound Name

4,5,6-trimethyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile

IUPAC name

456-trimethyl-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile

SMILES

Cc(c(C)c1C#N)c(C)nc1Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C16H14N6S/c1-10-11(2)14(9-17)15(18-12(10)3)23-16-19-20-21-22(16)13-7-5-4-6-8-13/h4-8H,1-3H3

InChI Key

UZIFZOJYUHRJMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.14

Polar Surface Area

66.269

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8014-8665 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8665?
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What is the minimum amount of 8014-8665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8665
  • 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 8014-8665 available by request