J101-0294 Screening compound: 3-[(3R)-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)PROPANAMIDE

J101-0294 Screening compound: 3-[(3R)-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)PROPANAMIDE
J101-0294 Screening compound: 3-[(3R)-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0294
3-[(3R)-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYL-1-PROPYL-1H-PYRAZOL-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

J101-0294

Molecular Formula

C19H23N5O3 (C19 H23 N5 O3)

Compound Name

3-[(3R)-2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)PROPANAMIDE

IUPAC name

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

SMILES

CCCn1nc(C)c(NC(CC[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)c1

InChI

InChI=1S/C19H23N5O3/c1-3-10-24-11-16(12(2)23-24)20-17(25)9-8-15-19(27)21-14-7-5-4-6-13(14)18(26)22-15/h4-7,11,15H,3,8-10H2,1-2H3,(H,20,25)(H,21,27)(H,22,26)/t15-/m1/s1

InChI Key

RFHZVLYFVTUWCF-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-2.30

Polar Surface Area

88.511

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

J101-0294 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
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 J101-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0294?
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What is the minimum amount of J101-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0294
  • 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 J101-0294 available by request