J100-0258 Screening compound: 3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

J100-0258 Screening compound: 3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
J100-0258 Screening compound: 3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0258
3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-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

J100-0258

Molecular Formula

C22H23ClN4O3 (C22 H23 ClN4 O3)

Compound Name

3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3S)-3-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(CC(C(Nc1c2cccc1)=O)NC2=O)N1CCN(Cc(cccc2)c2Cl)CC1

InChI

InChI=1S/C22H23ClN4O3/c23-17-7-3-1-5-15(17)14-26-9-11-27(12-10-26)20(28)13-19-22(30)24-18-8-4-2-6-16(18)21(29)25-19/h1-8,19H,9-14H2,(H,24,30)(H,25,29)/t19-/m0/s1

InChI Key

GDIUWJFHSLFQCE-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-3.20

Polar Surface Area

70.884

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

J100-0258 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0258?
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What is the minimum amount of J100-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0258
  • 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 J100-0258 available by request