J103-0071 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)acetamide

J103-0071 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)acetamide
J103-0071 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0071
2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)acetamide

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

J103-0071

Molecular Formula

C17H18N6O2 (C17 H18 N6 O2)

Compound Name

2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)acetamide

IUPAC name

2-(3-oxo-235678-hexahydrocinnolin-2-yl)-N-({[124]triazolo[43-a]pyridin-3-yl}methyl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NCc1nnc2n1cccc2

InChI

InChI=1S/C17H18N6O2/c24-16(18-10-15-20-19-14-7-3-4-8-22(14)15)11-23-17(25)9-12-5-1-2-6-13(12)21-23/h3-4,7-9H,1-2,5-6,10-11H2,(H,18,24)

InChI Key

IPMFECWWSCBCOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22582776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.021

Distribution Coefficient, logD

0.021

Water Solubility, LogSw

-1.76

Polar Surface Area

75.291

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

J103-0071 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0071?
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What is the minimum amount of J103-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0071
  • 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 J103-0071 available by request