J100-0129 Screening compound: (3R)-3-[2-(4-benzylpiperidino)-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

J100-0129 Screening compound: (3R)-3-[2-(4-benzylpiperidino)-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
J100-0129 Screening compound: (3R)-3-[2-(4-benzylpiperidino)-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0129
(3R)-3-[2-(4-benzylpiperidino)-2-oxoethyl]-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

J100-0129

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

(3R)-3-[2-(4-benzylpiperidino)-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(C[C@H](C(Nc1c2cccc1)=O)NC2=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C23H25N3O3/c27-21(26-12-10-17(11-13-26)14-16-6-2-1-3-7-16)15-20-23(29)24-19-9-5-4-8-18(19)22(28)25-20/h1-9,17,20H,10-15H2,(H,24,29)(H,25,28)/t20-/m1/s1

InChI Key

TXLAGEKOCWAILT-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.78

Polar Surface Area

67.072

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

J100-0129 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0129?
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What is the minimum amount of J100-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0129
  • 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 J100-0129 available by request