J100-0163 Screening compound: (3R)-3-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

J100-0163 Screening compound: (3R)-3-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
J100-0163 Screening compound: (3R)-3-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0163
(3R)-3-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-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

J100-0163

Molecular Formula

C20H21N5O3 (C20 H21 N5 O3)

Compound Name

(3R)-3-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

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

SMILES

O=C(C[C@H](C(Nc1c2cccc1)=O)NC2=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C20H21N5O3/c26-18(25-11-9-24(10-12-25)17-7-3-4-8-21-17)13-16-20(28)22-15-6-2-1-5-14(15)19(27)23-16/h1-8,16H,9-13H2,(H,22,28)(H,23,27)/t16-/m1/s1

InChI Key

JWXASIZWLUOWCY-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-2.10

Polar Surface Area

79.115

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

J100-0163 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J100-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0163?
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What is the minimum amount of J100-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0163
  • 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 J100-0163 available by request