J024-0040 Screening compound: 2-[11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-phenylacetamide

J024-0040 Screening compound: 2-[11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-phenylacetamide
J024-0040 Screening compound: 2-[11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0040
2-[11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-phenylacetamide

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

J024-0040

Molecular Formula

C29H28FN3O2 (C29 H28 FN3 O2)

Compound Name

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

IUPAC name

2-[10-(4-fluorophenyl)-1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-N-phenylacetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(Nc2ccccc2)=O)C2c(cc3)ccc3F)=C2C1=O

InChI

InChI=1S/C29H28FN3O2/c1-29(2)16-23-27(25(34)17-29)28(19-12-14-20(30)15-13-19)33(24-11-7-6-10-22(24)32-23)18-26(35)31-21-8-4-3-5-9-21/h3-15,28,32H,16-18H2,1-2H3,(H,31,35)/t28-/m0/s1

InChI Key

WDVAJOXHXBPPSR-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD11852628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.52

Polar Surface Area

49.730

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

J024-0040 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 J024-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0040?
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What is the minimum amount of J024-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0040
  • 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 J024-0040 available by request