1246-0740 Screening compound: (2E)-3-(3,5-dichloro-2-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

1246-0740 Screening compound: (2E)-3-(3,5-dichloro-2-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
1246-0740 Screening compound: (2E)-3-(3,5-dichloro-2-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0740
(2E)-3-(3,5-dichloro-2-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-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

1246-0740

Molecular Formula

C19H12Cl2N2OS (C19 H12 Cl2 N2 OS)

Compound Name

(2E)-3-(3,5-dichloro-2-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(35-dichloro-2-methoxyphenyl)-2-(4-phenyl-13-thiazol-2-yl)prop-2-enenitrile

SMILES

COc(c(/C=C(/c1nc(-c2ccccc2)cs1)\C#N)cc(Cl)c1)c1Cl

InChI

InChI=1S/C19H12Cl2N2OS/c1-24-18-13(8-15(20)9-16(18)21)7-14(10-22)19-23-17(11-25-19)12-5-3-2-4-6-12/h2-9,11H,1H3

InChI Key

WLEDHCZUGVAVHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.496

Distribution Coefficient, logD

6.496

Water Solubility, LogSw

-6.40

Polar Surface Area

34.474

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 1246-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0740?
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What is the minimum amount of 1246-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0740
  • 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 1246-0740 available by request