J103-0354 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

J103-0354 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
J103-0354 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0354
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-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

J103-0354

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C19H21N5O2/c25-18(12-24-19(26)11-13-5-1-2-6-14(13)23-24)20-10-9-17-21-15-7-3-4-8-16(15)22-17/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,20,25)(H,21,22)

InChI Key

DBAFYQFCXYLJHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28055436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.23

Polar Surface Area

72.827

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

J103-0354 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0354?
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What is the minimum amount of J103-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0354
  • 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 J103-0354 available by request