J101-0288 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]propanamide

J101-0288 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]propanamide
J101-0288 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0288
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]propanamide

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

J101-0288

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]propanamide

IUPAC name

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

SMILES

Cn1c(cccc2)c2nc1CNC(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C21H21N5O3/c1-26-17-9-5-4-8-15(17)23-18(26)12-22-19(27)11-10-16-21(29)24-14-7-3-2-6-13(14)20(28)25-16/h2-9,16H,10-12H2,1H3,(H,22,27)(H,24,29)(H,25,28)/t16-/m1/s1

InChI Key

KKZYTPTZXMQULZ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

1.937

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.73

Polar Surface Area

87.408

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

J101-0288 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
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 J101-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0288?
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What is the minimum amount of J101-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0288
  • 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 J101-0288 available by request