J024-0222 Screening compound: 11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0222 Screening compound: 11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0222 Screening compound: 11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-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 J024-0222
11-(4-fluorophenyl)-3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-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

J024-0222

Molecular Formula

C27H30FN3O3 (C27 H30 FN3 O3)

Compound Name

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

IUPAC name

10-(4-fluorophenyl)-1414-dimethyl-12-oxo-N-[(oxolan-2-yl)methyl]-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(NCC3OCCC3)=O)=C2C1=O

InChI

InChI=1S/C27H30FN3O3/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/h3-4,7-12,19,25,30H,5-6,13-16H2,1-2H3,(H,29,33)

InChI Key

ZMBXBJMZCDPMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

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

4.453

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.36

Polar Surface Area

57.962

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

J024-0222 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0222?
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What is the minimum amount of J024-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0222
  • 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 J024-0222 available by request