J024-0461 Screening compound: 10-ethyl-3,3-dimethyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0461 Screening compound: 10-ethyl-3,3-dimethyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0461 Screening compound: 10-ethyl-3,3-dimethyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0461
10-ethyl-3,3-dimethyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

J024-0461

Molecular Formula

C24H28N2O (C24 H28 N2 O)

Compound Name

10-ethyl-3,3-dimethyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-ethyl-1414-dimethyl-10-(4-methylphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCN(C1c2ccc(C)cc2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O

InChI

InChI=1S/C24H28N2O/c1-5-26-20-9-7-6-8-18(20)25-19-14-24(3,4)15-21(27)22(19)23(26)17-12-10-16(2)11-13-17/h6-13,23,25H,5,14-15H2,1-4H3/t23-/m0/s1

InChI Key

YARIMRFAKUAHDK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18912713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.413

Water Solubility, LogSw

-5.49

Polar Surface Area

26.577

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J024-0461 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0461?
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What is the minimum amount of J024-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0461
  • 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 J024-0461 available by request