J101-0283 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide

J101-0283 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide
J101-0283 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0283
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]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

J101-0283

Molecular Formula

C18H22N6O3 (C18 H22 N6 O3)

Compound Name

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

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[5-(2-methylpropyl)-1H-124-triazol-3-yl]propanamide

SMILES

CC(C)Cc1nc(NC(CC[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)n[nH]1

InChI

InChI=1S/C18H22N6O3/c1-10(2)9-14-21-18(24-23-14)22-15(25)8-7-13-17(27)19-12-6-4-3-5-11(12)16(26)20-13/h3-6,10,13H,7-9H2,1-2H3,(H,19,27)(H,20,26)(H2,21,22,23,24,25)/t13-/m1/s1

InChI Key

WTZWJWXQHSZCSS-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-3.07

Polar Surface Area

110.281

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

J101-0283 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J101-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0283?
Check Price and Availability of J101-0283, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J101-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0283
  • 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 J101-0283 available by request