J024-0433 Screening compound: 3-(2-furyl)-11-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0433 Screening compound: 3-(2-furyl)-11-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0433 Screening compound: 3-(2-furyl)-11-(4-methoxyphenyl)-10-(3-methylbutanoyl)-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 J024-0433
3-(2-furyl)-11-(4-methoxyphenyl)-10-(3-methylbutanoyl)-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

J024-0433

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

3-(2-furyl)-11-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(furan-2-yl)-10-(4-methoxyphenyl)-9-(3-methylbutanoyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)CC(N(C1c(cc2)ccc2OC)c(cccc2)c2NC(CC(C2)c3ccco3)=C1C2=O)=O

InChI

InChI=1S/C29H30N2O4/c1-18(2)15-27(33)31-24-8-5-4-7-22(24)30-23-16-20(26-9-6-14-35-26)17-25(32)28(23)29(31)19-10-12-21(34-3)13-11-19/h4-14,18,20,29-30H,15-17H2,1-3H3

InChI Key

BWEGKMYSVGLNMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-5.50

Polar Surface Area

54.759

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

J024-0433 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 J024-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0433?
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What is the minimum amount of J024-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0433
  • 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 J024-0433 available by request