J101-0177 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

J101-0177 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
J101-0177 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazin-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 J101-0177
3-{3-[4-(2-methoxyphenyl)piperazin-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

J101-0177

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3R)-3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(CCC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C23H26N4O4/c1-31-20-9-5-4-8-19(20)26-12-14-27(15-13-26)21(28)11-10-18-23(30)24-17-7-3-2-6-16(17)22(29)25-18/h2-9,18H,10-15H2,1H3,(H,24,30)(H,25,29)/t18-/m0/s1

InChI Key

YLHUVJPEIPLGEB-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.94

Polar Surface Area

77.933

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J101-0177 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
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 J101-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0177?
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What is the minimum amount of J101-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0177
  • 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 J101-0177 available by request