J101-0234 Screening compound: 3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

J101-0234 Screening compound: 3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
J101-0234 Screening compound: 3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0234
3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-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

J101-0234

Molecular Formula

C17H22N4O5S (C17 H22 N4 O5 S)

Compound Name

3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3R)-3-[3-(4-methanesulfonylpiperazin-1-yl)-3-oxopropyl]-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

CS(N(CC1)CCN1C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)=O)(=O)=O

InChI

InChI=1S/C17H22N4O5S/c1-27(25,26)21-10-8-20(9-11-21)15(22)7-6-14-17(24)18-13-5-3-2-4-12(13)16(23)19-14/h2-5,14H,6-11H2,1H3,(H,18,24)(H,19,23)/t14-/m1/s1

InChI Key

SFOGEVHWVPKKHX-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.062

Distribution Coefficient, logD

-0.072

Water Solubility, LogSw

-2.37

Polar Surface Area

98.626

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

J101-0234 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
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 J101-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0234?
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What is the minimum amount of J101-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0234
  • 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 J101-0234 available by request