J024-0577 Screening compound: N~1~-(2-furylmethyl)-4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanamide

J024-0577 Screening compound: N~1~-(2-furylmethyl)-4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanamide
J024-0577 Screening compound: N~1~-(2-furylmethyl)-4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0577
N~1~-(2-furylmethyl)-4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanamide

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

J024-0577

Molecular Formula

C26H25N3O5 (C26 H25 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O)=O)NCc1ccco1

InChI

InChI=1S/C26H25N3O5/c30-21-10-3-8-19-25(21)26(22-11-5-15-34-22)29(20-9-2-1-7-18(20)28-19)24(32)13-12-23(31)27-16-17-6-4-14-33-17/h1-2,4-7,9,11,14-15,26,28H,3,8,10,12-13,16H2,(H,27,31)/t26-/m0/s1

InChI Key

BOKTYJGVJZPBKK-SANMLTNESA-N

MDL Number (MFCD)

MFCD15078741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.856

Water Solubility, LogSw

-3.49

Polar Surface Area

79.436

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

J024-0577 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)

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 J024-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0577?
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What is the minimum amount of J024-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0577
  • 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 J024-0577 available by request