8013-1406 Screening compound: 2-[(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

8013-1406 Screening compound: 2-[(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
8013-1406 Screening compound: 2-[(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1406
2-[(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

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

8013-1406

Molecular Formula

C21H18N6O2S (C21 H18 N6 O2 S)

Compound Name

2-[(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

IUPAC name

2-[(6-amino-35-dicyano-4-phenylpyridin-2-yl)sulfanyl]-N-(5-methyl-12-oxazol-3-yl)butanamide

SMILES

CCC(C(Nc1noc(C)c1)=O)Sc(c(C#N)c1-c2ccccc2)nc(N)c1C#N

InChI

InChI=1S/C21H18N6O2S/c1-3-16(20(28)25-17-9-12(2)29-27-17)30-21-15(11-23)18(13-7-5-4-6-8-13)14(10-22)19(24)26-21/h4-9,16H,3H2,1-2H3,(H2,24,26)(H,25,27,28)/t16-/m0/s1

InChI Key

IJOPMKPDIQGURT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02817561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.44

Polar Surface Area

108.410

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8013-1406 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 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 8013-1406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1406?
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What is the minimum amount of 8013-1406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1406
  • 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 8013-1406 available by request