3643-1853 Screening compound: (2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

3643-1853 Screening compound: (2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
3643-1853 Screening compound: (2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1853
(2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-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

3643-1853

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

(2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

CCCOc(ccc(/C=C(/c1nc(cccc2)c2n1C)\C#N)c1)c1OC

InChI

InChI=1S/C21H21N3O2/c1-4-11-26-19-10-9-15(13-20(19)25-3)12-16(14-22)21-23-17-7-5-6-8-18(17)24(21)2/h5-10,12-13H,4,11H2,1-3H3

InChI Key

BGHWUXOJAWPQCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.46

Polar Surface Area

43.168

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3643-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1853?
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What is the minimum amount of 3643-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1853
  • 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 3643-1853 available by request