J024-0146 Screening compound: 3,3-dimethyl-1-oxo-N~10~,11-diphenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0146 Screening compound: 3,3-dimethyl-1-oxo-N~10~,11-diphenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0146 Screening compound: 3,3-dimethyl-1-oxo-N~10~,11-diphenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0146
3,3-dimethyl-1-oxo-N~10~,11-diphenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

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

J024-0146

Molecular Formula

C28H27N3O2 (C28 H27 N3 O2)

Compound Name

3,3-dimethyl-1-oxo-N~10~,11-diphenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

IUPAC name

1414-dimethyl-12-oxo-N10-diphenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3ccccc3)C(Nc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C28H27N3O2/c1-28(2)17-22-25(24(32)18-28)26(19-11-5-3-6-12-19)31(23-16-10-9-15-21(23)30-22)27(33)29-20-13-7-4-8-14-20/h3-16,26,30H,17-18H2,1-2H3,(H,29,33)/t26-/m0/s1

InChI Key

YTQOWEQCYKXAEZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD18912701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-5.59

Polar Surface Area

47.985

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

J024-0146 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0146?
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What is the minimum amount of J024-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0146
  • 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 J024-0146 available by request