1246-0751 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile

1246-0751 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
1246-0751 Screening compound: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0751
(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-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

1246-0751

Molecular Formula

C18H14N2OS (C18 H14 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1-c1csc(/C(/C#N)=C/c2ccco2)n1

InChI

InChI=1S/C18H14N2OS/c1-12-5-6-16(13(2)8-12)17-11-22-18(20-17)14(10-19)9-15-4-3-7-21-15/h3-9,11H,1-2H3

InChI Key

YCUDJWPUXVAOKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00812017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.15

Polar Surface Area

34.506

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1246-0751 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1246-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0751?
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What is the minimum amount of 1246-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0751
  • 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 1246-0751 available by request