J101-0178 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-4-yl)propanamide

J101-0178 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-4-yl)propanamide
J101-0178 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0178
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-4-yl)propanamide

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

J101-0178

Molecular Formula

C17H16N4O3 (C17 H16 N4 O3)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-4-yl)propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-(pyridin-4-yl)propanamide

SMILES

O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)Nc1ccncc1

InChI

InChI=1S/C17H16N4O3/c22-15(19-11-7-9-18-10-8-11)6-5-14-17(24)20-13-4-2-1-3-12(13)16(23)21-14/h1-4,7-10,14H,5-6H2,(H,20,24)(H,21,23)(H,18,19,22)/t14-/m1/s1

InChI Key

YHPWHOUJBUJHIK-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

1.112

Water Solubility, LogSw

-1.83

Polar Surface Area

83.528

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

J101-0178 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J101-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0178?
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What is the minimum amount of J101-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0178
  • 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 J101-0178 available by request