8008-6519 Screening compound: (2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

8008-6519 Screening compound: (2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
8008-6519 Screening compound: (2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6519
(2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

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

8008-6519

Molecular Formula

C18H15N3O (C18 H15 N3 O)

Compound Name

(2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(3-methoxyphenyl)-2-(6-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1nc(/C(/C#N)=C/c1cccc(OC)c1)[nH]2

InChI

InChI=1S/C18H15N3O/c1-12-6-7-16-17(8-12)21-18(20-16)14(11-19)9-13-4-3-5-15(10-13)22-2/h3-10H,1-2H3,(H,20,21)

InChI Key

OUTYHQIXJXGTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.40

Polar Surface Area

43.858

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8008-6519 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 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 8008-6519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6519?
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What is the minimum amount of 8008-6519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6519
  • 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 8008-6519 available by request