J024-0005 Screening compound: N~1~-benzyl-2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)acetamide

J024-0005 Screening compound: N~1~-benzyl-2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)acetamide
J024-0005 Screening compound: N~1~-benzyl-2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0005
N~1~-benzyl-2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-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

J024-0005

Molecular Formula

C30H31N3O2 (C30 H31 N3 O2)

Compound Name

N~1~-benzyl-2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)acetamide

IUPAC name

N-benzyl-2-{1414-dimethyl-12-oxo-10-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl}acetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCc2ccccc2)=O)C2c3ccccc3)=C2C1=O

InChI

InChI=1S/C30H31N3O2/c1-30(2)17-24-28(26(34)18-30)29(22-13-7-4-8-14-22)33(25-16-10-9-15-23(25)32-24)20-27(35)31-19-21-11-5-3-6-12-21/h3-16,29,32H,17-20H2,1-2H3,(H,31,35)/t29-/m0/s1

InChI Key

CWFIHRDWIKEEHZ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD09665392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.413

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-5.42

Polar Surface Area

51.052

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

J024-0005 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0005?
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What is the minimum amount of J024-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0005
  • 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 J024-0005 available by request