6186-2752 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enenitrile

6186-2752 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enenitrile
6186-2752 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-2752
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(2-methoxyphenyl)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

6186-2752

Molecular Formula

C17H13N3O (C17 H13 N3 O)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cccc1

InChI

InChI=1S/C17H13N3O/c1-21-16-9-5-2-6-12(16)10-13(11-18)17-19-14-7-3-4-8-15(14)20-17/h2-10H,1H3,(H,19,20)

InChI Key

IILGBLKLVZVLMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.31

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

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.28

Polar Surface Area

43.945

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 6186-2752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-2752?
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What is the minimum amount of 6186-2752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-2752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-2752
  • 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 6186-2752 available by request