J103-0107 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-[(pyridin-3-yl)methyl]acetamide

J103-0107 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-[(pyridin-3-yl)methyl]acetamide
J103-0107 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0107
2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-[(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

J103-0107

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-(3-oxo-235678-hexahydrocinnolin-2-yl)-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NCc1cnccc1

InChI

InChI=1S/C16H18N4O2/c21-15(18-10-12-4-3-7-17-9-12)11-20-16(22)8-13-5-1-2-6-14(13)19-20/h3-4,7-9H,1-2,5-6,10-11H2,(H,18,21)

InChI Key

IUWLQCDNDSJEPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23140050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.482

Distribution Coefficient, logD

0.479

Water Solubility, LogSw

-1.21

Polar Surface Area

62.222

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

J103-0107 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J103-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0107?
Check Price and Availability of J103-0107, 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 J103-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0107
  • 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 J103-0107 available by request