1246-0725 Screening compound: (2E)-3-(3-nitrophenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile

1246-0725 Screening compound: (2E)-3-(3-nitrophenyl)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)prop-2-enenitrile
1246-0725 Screening compound: (2E)-3-(3-nitrophenyl)-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 1246-0725
(2E)-3-(3-nitrophenyl)-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

1246-0725

Molecular Formula

C25H13N3O4S (C25 H13 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N#C/C(/c1nc(C2=Cc(c3ccccc3cc3)c3OC2=O)cs1)=C\c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C25H13N3O4S/c26-13-17(10-15-4-3-6-18(11-15)28(30)31)24-27-22(14-33-24)21-12-20-19-7-2-1-5-16(19)8-9-23(20)32-25(21)29/h1-12,14H

InChI Key

WDQRJAGWNRJSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-7.24

Polar Surface Area

80.789

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0725 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1246-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0725?
Check Price and Availability of 1246-0725, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1246-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0725
  • 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 1246-0725 available by request