J024-0328 Screening compound: 1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0328 Screening compound: 1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0328 Screening compound: 1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-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 J024-0328
1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-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

J024-0328

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC1OCCC1)N(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O

InChI

InChI=1S/C23H25N3O3S/c27-19-10-3-8-17-21(19)22(20-11-5-13-30-20)26(18-9-2-1-7-16(18)25-17)23(28)24-14-15-6-4-12-29-15/h1-2,5,7,9,11,13,15,22,25H,3-4,6,8,10,12,14H2,(H,24,28)

InChI Key

AXVJVKKURUBIMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

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

3.443

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.86

Polar Surface Area

58.980

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

J024-0328 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J024-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0328?
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What is the minimum amount of J024-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0328
  • 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 J024-0328 available by request