J101-0144 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(4-phenylbutan-2-yl)propanamide

J101-0144 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
J101-0144 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(4-phenylbutan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0144
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(4-phenylbutan-2-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

J101-0144

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-(4-phenylbutan-2-yl)propanamide

SMILES

CC(CCc1ccccc1)NC(CCC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C22H25N3O3/c1-15(11-12-16-7-3-2-4-8-16)23-20(26)14-13-19-22(28)24-18-10-6-5-9-17(18)21(27)25-19/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t15?,19-/m0/s1

InChI Key

YQPXLRZBYBIMPI-FUBQLUNQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.70

Polar Surface Area

74.863

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

J101-0144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Glucocorticoid receptors Library (4806 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • Nuclear receptors
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J101-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0144?
Check Price and Availability of J101-0144, 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 J101-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0144
  • 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 J101-0144 available by request