J024-0851 Screening compound: N~1~-benzyl-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]acetamide

J024-0851 Screening compound: N~1~-benzyl-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]acetamide
J024-0851 Screening compound: N~1~-benzyl-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0851
N~1~-benzyl-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]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

J024-0851

Molecular Formula

C30H30FN3O2 (C30 H30 FN3 O2)

Compound Name

N~1~-benzyl-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]acetamide

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCc2ccccc2)=O)C2c(cc3)ccc3F)=C2C1=O

InChI

InChI=1S/C30H30FN3O2/c1-30(2)16-24-28(26(35)17-30)29(21-12-14-22(31)15-13-21)34(25-11-7-6-10-23(25)33-24)19-27(36)32-18-20-8-4-3-5-9-20/h3-15,29,33H,16-19H2,1-2H3,(H,32,36)/t29-/m0/s1

InChI Key

KRHRIMSUDVUKJX-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD09666474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.438

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.43

Polar Surface Area

51.052

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

J024-0851 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0851?
Check Price and Availability of J024-0851, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J024-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0851
  • 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 J024-0851 available by request