J103-0323 Screening compound: N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

J103-0323 Screening compound: N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
J103-0323 Screening compound: N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0323
N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)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

J103-0323

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

IUPAC name

N-{3-[3-(methoxymethyl)-1H-124-triazol-5-yl]phenyl}-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

COCc1n[nH]c(-c2cccc(NC(CN3N=C(CCCC4)C4=CC3=O)=O)c2)n1

InChI

InChI=1S/C20H22N6O3/c1-29-12-17-22-20(24-23-17)14-6-4-7-15(9-14)21-18(27)11-26-19(28)10-13-5-2-3-8-16(13)25-26/h4,6-7,9-10H,2-3,5,8,11-12H2,1H3,(H,21,27)(H,22,23,24)

InChI Key

QYCXYTURBPCSEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27963309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.012

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.77

Polar Surface Area

94.582

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J103-0323 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J103-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0323?
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What is the minimum amount of J103-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0323
  • 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 J103-0323 available by request