3643-1856 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

3643-1856 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
3643-1856 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1856
(2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-(4-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

3643-1856

Molecular Formula

C19H17N3O (C19 H17 N3 O)

Compound Name

(2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(1-ethyl-1H-13-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

SMILES

CCn1c(/C(/C#N)=C/c(cc2)ccc2OC)nc2c1cccc2

InChI

InChI=1S/C19H17N3O/c1-3-22-18-7-5-4-6-17(18)21-19(22)15(13-20)12-14-8-10-16(23-2)11-9-14/h4-12H,3H2,1-2H3

InChI Key

KFVVHRGTWRQGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.44

Polar Surface Area

34.492

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3643-1856 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3643-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1856?
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What is the minimum amount of 3643-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1856
  • 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 3643-1856 available by request