J024-0196 Screening compound: 11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0196 Screening compound: 11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-N~10~-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0196 Screening compound: 11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-N~10~-phenyl-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 J024-0196
11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-N~10~-phenyl-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

J024-0196

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

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

IUPAC name

10-(2-methoxyphenyl)-1414-dimethyl-12-oxo-N-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(cccc3)c3OC)C(Nc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C29H29N3O3/c1-29(2)17-22-26(24(33)18-29)27(20-13-7-10-16-25(20)35-3)32(23-15-9-8-14-21(23)31-22)28(34)30-19-11-5-4-6-12-19/h4-16,27,31H,17-18H2,1-3H3,(H,30,34)/t27-/m0/s1

InChI Key

YAQVBHXIGJDILY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15078633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.913

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.60

Polar Surface Area

55.616

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

J024-0196 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0196?
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What is the minimum amount of J024-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0196
  • 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 J024-0196 available by request