J101-0285 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide

J101-0285 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
J101-0285 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0285
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]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

J101-0285

Molecular Formula

C20H19N7O3 (C20 H19 N7 O3)

Compound Name

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

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[3-(2-methyl-2H-1234-tetrazol-5-yl)phenyl]propanamide

SMILES

Cn1nnc(-c2cccc(NC(CC[C@H](C(Nc3c4cccc3)=O)NC4=O)=O)c2)n1

InChI

InChI=1S/C20H19N7O3/c1-27-25-18(24-26-27)12-5-4-6-13(11-12)21-17(28)10-9-16-20(30)22-15-8-3-2-7-14(15)19(29)23-16/h2-8,11,16H,9-10H2,1H3,(H,21,28)(H,22,30)(H,23,29)/t16-/m1/s1

InChI Key

IMIRXSSDCYQAQC-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.91

Polar Surface Area

112.237

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J101-0285 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
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 J101-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0285?
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What is the minimum amount of J101-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0285
  • 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 J101-0285 available by request