1246-0521 Screening compound: (2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile

1246-0521 Screening compound: (2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile
1246-0521 Screening compound: (2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0521
(2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-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

1246-0521

Molecular Formula

C26H16N2O3S (C26 H16 N2 O3 S)

Compound Name

(2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(4-methoxyphenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-13-thiazol-2-yl)prop-2-enenitrile

SMILES

COc1ccc(/C=C(/c2nc(C3=Cc(c4ccccc4cc4)c4OC3=O)cs2)\C#N)cc1

InChI

InChI=1S/C26H16N2O3S/c1-30-19-9-6-16(7-10-19)12-18(14-27)25-28-23(15-32-25)22-13-21-20-5-3-2-4-17(20)8-11-24(21)31-26(22)29/h2-13,15H,1H3

InChI Key

QUKFTAIVKMLYTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.992

Distribution Coefficient, logD

5.992

Water Solubility, LogSw

-6.83

Polar Surface Area

54.951

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

1246-0521 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 1246-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0521?
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What is the minimum amount of 1246-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0521
  • 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 1246-0521 available by request