1065-0045 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-3-nitrobenzamide

1065-0045 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-3-nitrobenzamide
1065-0045 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1065-0045
N-(1,2-dihydroacenaphthylen-5-yl)-3-nitrobenzamide

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

1065-0045

Molecular Formula

C19H14N2O3 (C19 H14 N2 O3)

Compound Name

N-(1,2-dihydroacenaphthylen-5-yl)-3-nitrobenzamide

IUPAC name

N-(12-dihydroacenaphthylen-5-yl)-3-nitrobenzamide

SMILES

[O-][N+](c1cc(C(Nc2ccc(CC3)c4c3cccc24)=O)ccc1)=O

InChI

InChI=1S/C19H14N2O3/c22-19(14-4-1-5-15(11-14)21(23)24)20-17-10-9-13-8-7-12-3-2-6-16(17)18(12)13/h1-6,9-11H,7-8H2,(H,20,22)

InChI Key

WHXWJWQHWUFEHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-5.39

Polar Surface Area

56.028

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1065-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 1065-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1065-0045?
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What is the minimum amount of 1065-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1065-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1065-0045
  • 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 1065-0045 available by request