8017-4274 Screening compound: 1-(2-chlorobenzyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

8017-4274 Screening compound: 1-(2-chlorobenzyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
8017-4274 Screening compound: 1-(2-chlorobenzyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4274
1-(2-chlorobenzyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

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

8017-4274

Molecular Formula

C13H8ClN3O3 (C13 H8 ClN3 O3)

Compound Name

1-(2-chlorobenzyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

1-[(2-chlorophenyl)methyl]-5-nitro-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

N#CC1=CC([N+]([O-])=O)=CN(Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C13H8ClN3O3/c14-12-4-2-1-3-9(12)7-16-8-11(17(19)20)5-10(6-15)13(16)18/h1-5,8H,7H2

InChI Key

HYVCSNVCZGPBNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.79

Polar Surface Area

67.171

Acid Dissociation Constant (pKa)

30.63

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8017-4274 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 8017-4274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4274?
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What is the minimum amount of 8017-4274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4274
  • 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 8017-4274 available by request