8014-8956 Screening compound: 1-(2-chlorobenzyl)-3-nitro-2(1H)-pyridinone

8014-8956 Screening compound: 1-(2-chlorobenzyl)-3-nitro-2(1H)-pyridinone
8014-8956 Screening compound: 1-(2-chlorobenzyl)-3-nitro-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8956
1-(2-chlorobenzyl)-3-nitro-2(1H)-pyridinone

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

8014-8956

Molecular Formula

C12H9ClN2O3 (C12 H9 ClN2 O3)

Compound Name

1-(2-chlorobenzyl)-3-nitro-2(1H)-pyridinone

IUPAC name

1-[(2-chlorophenyl)methyl]-3-nitro-12-dihydropyridin-2-one

SMILES

[O-][N+](C1=CC=CN(Cc(cccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C12H9ClN2O3/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(12(14)16)15(17)18/h1-7H,8H2

InChI Key

RQADPMVNKSDMGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.85

Polar Surface Area

49.061

Acid Dissociation Constant (pKa)

30.63

Base Dissociation Constant (pKb)

-7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8014-8956 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-8956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8956?
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What is the minimum amount of 8014-8956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8956
  • 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 8014-8956 available by request