8010-1612 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile

8010-1612 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
8010-1612 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1612
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-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

8010-1612

Molecular Formula

C17H12BrN3O (C17 H12 BrN3 O)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile

SMILES

COc(cc1)c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cc1Br

InChI

InChI=1S/C17H12BrN3O/c1-22-16-7-6-13(18)9-11(16)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)

InChI Key

ODRSTQCAEXNFAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.21

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

4.447

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.48

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 8010-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1612?
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What is the minimum amount of 8010-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1612
  • 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 8010-1612 available by request