J024-0078 Screening compound: 2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylacetamide

J024-0078 Screening compound: 2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylacetamide
J024-0078 Screening compound: 2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0078
2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylacetamide

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

J024-0078

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylacetamide

IUPAC name

2-[10-(furan-2-yl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-N-propylacetamide

SMILES

CCCNC(CN(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H25N3O3/c1-2-12-23-20(27)14-25-17-9-4-3-7-15(17)24-16-8-5-10-18(26)21(16)22(25)19-11-6-13-28-19/h3-4,6-7,9,11,13,22,24H,2,5,8,10,12,14H2,1H3,(H,23,27)/t22-/m0/s1

InChI Key

HCGQPVASDPWWBD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15078587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.46

Polar Surface Area

59.743

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

J024-0078 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0078?
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What is the minimum amount of J024-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0078
  • 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 J024-0078 available by request