8007-7748 Screening compound: 2-(1H-Benzoimidazol-2-yl)-3-(3-bromo-4-cyanomethoxy-5-methoxy-phenyl)-acrylonitr

8007-7748 Screening compound: 2-(1H-Benzoimidazol-2-yl)-3-(3-bromo-4-cyanomethoxy-5-methoxy-phenyl)-acrylonitr
8007-7748 Screening compound: 2-(1H-Benzoimidazol-2-yl)-3-(3-bromo-4-cyanomethoxy-5-methoxy-phenyl)-acrylonitr alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7748
2-(1H-Benzoimidazol-2-yl)-3-(3-bromo-4-cyanomethoxy-5-methoxy-phenyl)-acrylonitr

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

8007-7748

Molecular Formula

C19H13BrN4O2 (C19 H13 BrN4 O2)

Compound Name

2-(1H-Benzoimidazol-2-yl)-3-(3-bromo-4-cyanomethoxy-5-methoxy-phenyl)-acrylonitr

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile

SMILES

COc1cc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cc(Br)c1OCC#N

InChI

InChI=1S/C19H13BrN4O2/c1-25-17-10-12(9-14(20)18(17)26-7-6-21)8-13(11-22)19-23-15-4-2-3-5-16(15)24-19/h2-5,8-10H,7H2,1H3,(H,23,24)

InChI Key

TVBRGQDPIVQHDM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

409.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-4.07

Polar Surface Area

69.027

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 8007-7748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7748?
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What is the minimum amount of 8007-7748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7748
  • 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 8007-7748 available by request