J101-0192 Screening compound: N-(5-BENZYL-1,3,4-THIADIAZOL-2-YL)-3-(2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL)PROPANAMIDE

J101-0192 Screening compound: N-(5-BENZYL-1,3,4-THIADIAZOL-2-YL)-3-(2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL)PROPANAMIDE
J101-0192 Screening compound: N-(5-BENZYL-1,3,4-THIADIAZOL-2-YL)-3-(2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound J101-0192
N-(5-BENZYL-1,3,4-THIADIAZOL-2-YL)-3-(2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-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

J101-0192

Molecular Formula

C21H19N5O3S (C21 H19 N5 O3 S)

Compound Name

N-(5-BENZYL-1,3,4-THIADIAZOL-2-YL)-3-(2,5-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-3-YL)PROPANAMIDE

IUPAC name

N-(5-benzyl-134-thiadiazol-2-yl)-3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]propanamide

SMILES

O=C(CC[C@H](C(Nc1c2cccc1)=O)NC2=O)Nc1nnc(Cc2ccccc2)s1

InChI

InChI=1S/C21H19N5O3S/c27-17(24-21-26-25-18(30-21)12-13-6-2-1-3-7-13)11-10-16-20(29)22-15-9-5-4-8-14(15)19(28)23-16/h1-9,16H,10-12H2,(H,22,29)(H,23,28)(H,24,26,27)/t16-/m1/s1

InChI Key

VRIDCBSHRTXTAE-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.78

Polar Surface Area

97.869

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J101-0192 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 J101-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J101-0192?
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What is the minimum amount of J101-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J101-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J101-0192
  • 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 J101-0192 available by request