J024-0525 Screening compound: 10-(4-fluorobenzyl)-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0525 Screening compound: 10-(4-fluorobenzyl)-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0525 Screening compound: 10-(4-fluorobenzyl)-11-(2-furyl)-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 J024-0525
10-(4-fluorobenzyl)-11-(2-furyl)-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

J024-0525

Molecular Formula

C24H21FN2O2 (C24 H21 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)C2=C1Nc(cccc1)c1N(Cc(cc1)ccc1F)C2c1ccco1

InChI

InChI=1S/C24H21FN2O2/c25-17-12-10-16(11-13-17)15-27-20-7-2-1-5-18(20)26-19-6-3-8-21(28)23(19)24(27)22-9-4-14-29-22/h1-2,4-5,7,9-14,24,26H,3,6,8,15H2/t24-/m0/s1

InChI Key

GPMHROIJQCAEIX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD13370436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.66

Polar Surface Area

35.159

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

J024-0525 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0525?
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What is the minimum amount of J024-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0525
  • 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 J024-0525 available by request