J101-0321 Screening compound: 3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

J101-0321 Screening compound: 3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
J101-0321 Screening compound: 3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0321
3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

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

J101-0321

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3R)-3-(3-oxo-3-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propyl)-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)N1CCN(CCc2ncccc2)CC1

InChI

InChI=1S/C23H27N5O3/c29-21(28-15-13-27(14-16-28)12-10-17-5-3-4-11-24-17)9-8-20-23(31)25-19-7-2-1-6-18(19)22(30)26-20/h1-7,11,20H,8-10,12-16H2,(H,25,31)(H,26,30)/t20-/m1/s1

InChI Key

GHFKYSSADKPBIN-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.119

Distribution Coefficient, logD

1.065

Water Solubility, LogSw

-2.10

Polar Surface Area

80.405

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J101-0321 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J101-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J101-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0321
  • 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 J101-0321 available by request