3230-1860 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

3230-1860 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
3230-1860 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-1860
(2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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

3230-1860

Molecular Formula

C19H16N2O3S (C19 H16 N2 O3 S)

Compound Name

(2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(13-benzothiazol-2-yl)-3-(345-trimethoxyphenyl)prop-2-enenitrile

SMILES

COc1cc(/C=C(/c2nc(cccc3)c3s2)\C#N)cc(OC)c1OC

InChI

InChI=1S/C19H16N2O3S/c1-22-15-9-12(10-16(23-2)18(15)24-3)8-13(11-20)19-21-14-6-4-5-7-17(14)25-19/h4-10H,1-3H3

InChI Key

GULOANVCIIOIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01237868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.53

Polar Surface Area

49.721

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3230-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-1860?
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What is the minimum amount of 3230-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-1860
  • 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 3230-1860 available by request