J024-0218 Screening compound: 11-(4-fluorophenyl)-N~10~-(2-furylmethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0218 Screening compound: 11-(4-fluorophenyl)-N~10~-(2-furylmethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0218 Screening compound: 11-(4-fluorophenyl)-N~10~-(2-furylmethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0218
11-(4-fluorophenyl)-N~10~-(2-furylmethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

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

J024-0218

Molecular Formula

C27H26FN3O3 (C27 H26 FN3 O3)

Compound Name

11-(4-fluorophenyl)-N~10~-(2-furylmethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(cc3)ccc3F)C(NCc3ccco3)=O)=C2C1=O

InChI

InChI=1S/C27H26FN3O3/c1-27(2)14-21-24(23(32)15-27)25(17-9-11-18(28)12-10-17)31(22-8-4-3-7-20(22)30-21)26(33)29-16-19-6-5-13-34-19/h3-13,25,30H,14-16H2,1-2H3,(H,29,33)/t25-/m0/s1

InChI Key

GGRYLXGEHZDEDL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15078638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.50

Polar Surface Area

57.056

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

J024-0218 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J024-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0218
  • 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 J024-0218 available by request