8009-6851 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-(2-propynylsulfanyl)-3,5-pyridinedicarbonitrile

8009-6851 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-(2-propynylsulfanyl)-3,5-pyridinedicarbonitrile
8009-6851 Screening compound: 2-amino-4-(4-hydroxyphenyl)-6-(2-propynylsulfanyl)-3,5-pyridinedicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6851
2-amino-4-(4-hydroxyphenyl)-6-(2-propynylsulfanyl)-3,5-pyridinedicarbonitrile

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

8009-6851

Molecular Formula

C16H10N4OS (C16 H10 N4 OS)

Compound Name

2-amino-4-(4-hydroxyphenyl)-6-(2-propynylsulfanyl)-3,5-pyridinedicarbonitrile

IUPAC name

2-amino-4-(4-hydroxyphenyl)-6-(prop-2-yn-1-ylsulfanyl)pyridine-35-dicarbonitrile

SMILES

C#CCSc(c(C#N)c1-c(cc2)ccc2O)nc(N)c1C#N

InChI

InChI=1S/C16H10N4OS/c1-2-7-22-16-13(9-18)14(12(8-17)15(19)20-16)10-3-5-11(21)6-4-10/h1,3-6,21H,7H2,(H2,19,20)

InChI Key

BPFGDSJAQPAOPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.27

Polar Surface Area

81.140

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8009-6851 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-6851 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-6851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6851
  • 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 8009-6851 available by request