J024-0345 Screening compound: 3,3-dimethyl-11-(4-methylphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0345 Screening compound: 3,3-dimethyl-11-(4-methylphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0345 Screening compound: 3,3-dimethyl-11-(4-methylphenyl)-10-propionyl-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 J024-0345
3,3-dimethyl-11-(4-methylphenyl)-10-propionyl-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

J024-0345

Molecular Formula

C25H28N2O2 (C25 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-5-22(29)27-20-9-7-6-8-18(20)26-19-14-25(3,4)15-21(28)23(19)24(27)17-12-10-16(2)11-13-17/h6-13,24,26H,5,14-15H2,1-4H3/t24-/m0/s1

InChI Key

BJNVBMHFWMJYEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD18912709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.770

Water Solubility, LogSw

-4.58

Polar Surface Area

38.909

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

J024-0345 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0345?
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What is the minimum amount of J024-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0345
  • 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 J024-0345 available by request