2367-1322 Screening compound: (2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

2367-1322 Screening compound: (2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
2367-1322 Screening compound: (2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2367-1322
(2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-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

2367-1322

Molecular Formula

C20H18BrN3O2 (C20 H18 BrN3 O2)

Compound Name

(2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

CCOc(c(OC)cc(/C=C(/c1nc(cc(C)cc2)c2[nH]1)\C#N)c1)c1Br

InChI

InChI=1S/C20H18BrN3O2/c1-4-26-19-15(21)9-13(10-18(19)25-3)8-14(11-22)20-23-16-6-5-12(2)7-17(16)24-20/h5-10H,4H2,1-3H3,(H,23,24)

InChI Key

QVMIPAQRYNZIEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-4.88

Polar Surface Area

51.241

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2367-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2367-1322?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2367-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2367-1322
  • 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 2367-1322 available by request