J024-0283 Screening compound: N~10~-(5-chloro-2-methoxyphenyl)-11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0283 Screening compound: N~10~-(5-chloro-2-methoxyphenyl)-11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0283 Screening compound: N~10~-(5-chloro-2-methoxyphenyl)-11-(2-furyl)-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 J024-0283
N~10~-(5-chloro-2-methoxyphenyl)-11-(2-furyl)-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

J024-0283

Molecular Formula

C25H22ClN3O4 (C25 H22 ClN3 O4)

Compound Name

N~10~-(5-chloro-2-methoxyphenyl)-11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-10-(furan-2-yl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(N(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C25H22ClN3O4/c1-32-21-12-11-15(26)14-18(21)28-25(31)29-19-8-3-2-6-16(19)27-17-7-4-9-20(30)23(17)24(29)22-10-5-13-33-22/h2-3,5-6,8,10-14,24,27H,4,7,9H2,1H3,(H,28,31)/t24-/m0/s1

InChI Key

NGMLDIHNLWYFAQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15078676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-5.60

Polar Surface Area

63.496

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J024-0283 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with J024-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0283?
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What is the minimum amount of J024-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0283
  • 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 J024-0283 available by request