J100-0322 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(5-ethyl-1H-1,2,4-triazol-3-yl)acetamide

J100-0322 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(5-ethyl-1H-1,2,4-triazol-3-yl)acetamide
J100-0322 Screening compound: 2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(5-ethyl-1H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0322
2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N~1~-(5-ethyl-1H-1,2,4-triazol-3-yl)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

J100-0322

Molecular Formula

C15H16N6O3 (C15 H16 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(NC(C[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)n[nH]1

InChI

InChI=1S/C15H16N6O3/c1-2-11-18-15(21-20-11)19-12(22)7-10-14(24)16-9-6-4-3-5-8(9)13(23)17-10/h3-6,10H,2,7H2,1H3,(H,16,24)(H,17,23)(H2,18,19,20,21,22)/t10-/m1/s1

InChI Key

RPQBHCBQLVMPRH-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.880

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-2.43

Polar Surface Area

110.281

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

J100-0322 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J100-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0322?
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What is the minimum amount of J100-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0322
  • 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 J100-0322 available by request