2316-2052 Screening compound: (2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

2316-2052 Screening compound: (2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide
2316-2052 Screening compound: (2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2316-2052
(2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

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

2316-2052

Molecular Formula

C22H14N2O5 (C22 H14 N2 O5)

Compound Name

(2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(3-nitrophenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

SMILES

[O-][N+](c1cc(/C=C/C(NC2=Cc(c3ccccc3cc3)c3OC2=O)=O)ccc1)=O

InChI

InChI=1S/C22H14N2O5/c25-21(11-8-14-4-3-6-16(12-14)24(27)28)23-19-13-18-17-7-2-1-5-15(17)9-10-20(18)29-22(19)26/h1-13H,(H,23,25)

InChI Key

CXRZNXGJWXMQQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-5.58

Polar Surface Area

78.111

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2316-2052 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2316-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2316-2052?
Check Price and Availability of 2316-2052, 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 2316-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2316-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2316-2052
  • 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 2316-2052 available by request