J100-0261 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[(1-isopropyl-1H-1,3-benzimidazol-2-yl)methyl]acetamide

J100-0261 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[(1-isopropyl-1H-1,3-benzimidazol-2-yl)methyl]acetamide
J100-0261 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[(1-isopropyl-1H-1,3-benzimidazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0261
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[(1-isopropyl-1H-1,3-benzimidazol-2-yl)methyl]acetamide

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

J100-0261

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-[(1-isopropyl-1H-1,3-benzimidazol-2-yl)methyl]acetamide

IUPAC name

2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-{[1-(propan-2-yl)-1H-13-benzodiazol-2-yl]methyl}acetamide

SMILES

CC(C)n1c(cccc2)c2nc1CNC(C[C@H](C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C22H23N5O3/c1-13(2)27-18-10-6-5-9-16(18)24-19(27)12-23-20(28)11-17-22(30)25-15-8-4-3-7-14(15)21(29)26-17/h3-10,13,17H,11-12H2,1-2H3,(H,23,28)(H,25,30)(H,26,29)/t17-/m1/s1

InChI Key

PSIZRUPONNOSLL-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-3.05

Polar Surface Area

87.674

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

J100-0261 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0261?
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What is the minimum amount of J100-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0261
  • 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 J100-0261 available by request