J024-0006 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(2-furylmethyl)acetamide

J024-0006 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(2-furylmethyl)acetamide
J024-0006 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0006
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(2-furylmethyl)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

J024-0006

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCc2ccco2)=O)C2c3ccccc3)=C2C1=O

InChI

InChI=1S/C28H29N3O3/c1-28(2)15-22-26(24(32)16-28)27(19-9-4-3-5-10-19)31(23-13-7-6-12-21(23)30-22)18-25(33)29-17-20-11-8-14-34-20/h3-14,27,30H,15-18H2,1-2H3,(H,29,33)/t27-/m0/s1

InChI Key

PTYVVVLPLIEFCF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD08548275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.02

Polar Surface Area

58.801

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

J024-0006 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0006?
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What is the minimum amount of J024-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0006
  • 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 J024-0006 available by request