1246-0603 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

1246-0603 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
1246-0603 Screening compound: (2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0603
(2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-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

1246-0603

Molecular Formula

C21H11FN2O2S (C21 H11 FN2 O2 S)

Compound Name

(2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-(3-fluorophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1cc(F)ccc1

InChI

InChI=1S/C21H11FN2O2S/c22-16-6-3-4-13(9-16)8-15(11-23)20-24-18(12-27-20)17-10-14-5-1-2-7-19(14)26-21(17)25/h1-10,12H

InChI Key

VZFDQALWRPALPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-5.04

Polar Surface Area

47.679

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0603 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1246-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0603?
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What is the minimum amount of 1246-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0603
  • 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 1246-0603 available by request