J101-0266 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)propanamide

J101-0266 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)propanamide
J101-0266 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0266
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)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

J101-0266

Molecular Formula

C20H20N6O3 (C20 H20 N6 O3)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-(2-{[124]triazolo[43-a]pyridin-3-yl}ethyl)propanamide

SMILES

O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)NCCc1nnc2n1cccc2

InChI

InChI=1S/C20H20N6O3/c27-18(21-11-10-17-25-24-16-7-3-4-12-26(16)17)9-8-15-20(29)22-14-6-2-1-5-13(14)19(28)23-15/h1-7,12,15H,8-11H2,(H,21,27)(H,22,29)(H,23,28)/t15-/m1/s1

InChI Key

VRYZURALFSNIQY-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.079

Distribution Coefficient, logD

0.068

Water Solubility, LogSw

-2.03

Polar Surface Area

97.850

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J101-0266 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
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 J101-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0266?
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What is the minimum amount of J101-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0266
  • 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 J101-0266 available by request