1682-4344 Screening compound: N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide

1682-4344 Screening compound: N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide
1682-4344 Screening compound: N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4344
N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide

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

1682-4344

Molecular Formula

C23H16N2O5 (C23 H16 N2 O5)

Compound Name

N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-benzyl-N-(3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide

SMILES

[O-][N+](c1cc(N(Cc2ccccc2)C(C2=Cc(cccc3)c3OC2=O)=O)ccc1)=O

InChI

InChI=1S/C23H16N2O5/c26-22(20-13-17-9-4-5-12-21(17)30-23(20)27)24(15-16-7-2-1-3-8-16)18-10-6-11-19(14-18)25(28)29/h1-14H,15H2

InChI Key

GBIIPFGYXGFHQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.72

Polar Surface Area

69.893

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1682-4344 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-4344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4344?
Check Price and Availability of 1682-4344, 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 1682-4344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4344
  • 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 1682-4344 available by request