1246-0640 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile

1246-0640 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile
1246-0640 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0640
(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)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

1246-0640

Molecular Formula

C22H20N2OS (C22 H20 N2 OS)

Compound Name

(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(24-dimethylphenyl)-13-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile

SMILES

CCOc1ccc(/C=C(/c2nc(-c3c(C)cc(C)cc3)cs2)\C#N)cc1

InChI

InChI=1S/C22H20N2OS/c1-4-25-19-8-6-17(7-9-19)12-18(13-23)22-24-21(14-26-22)20-10-5-15(2)11-16(20)3/h5-12,14H,4H2,1-3H3

InChI Key

FUGVFZIAQMWNSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00812373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.444

Distribution Coefficient, logD

6.444

Water Solubility, LogSw

-5.83

Polar Surface Area

33.881

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

1246-0640 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1246-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0640?
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What is the minimum amount of 1246-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0640
  • 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 1246-0640 available by request