J024-0309 Screening compound: N~10~-(2,5-dimethoxyphenyl)-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0309 Screening compound: N~10~-(2,5-dimethoxyphenyl)-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0309 Screening compound: N~10~-(2,5-dimethoxyphenyl)-1-oxo-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 J024-0309
N~10~-(2,5-dimethoxyphenyl)-1-oxo-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

J024-0309

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

COc(cc1)cc(NC(N(C2c3cccs3)c(cccc3)c3NC(CCC3)=C2C3=O)=O)c1OC

InChI

InChI=1S/C26H25N3O4S/c1-32-16-12-13-22(33-2)19(15-16)28-26(31)29-20-9-4-3-7-17(20)27-18-8-5-10-21(30)24(18)25(29)23-11-6-14-34-23/h3-4,6-7,9,11-15,25,27H,5,8,10H2,1-2H3,(H,28,31)/t25-/m0/s1

InChI Key

APPBMHUXVOLPMG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15078688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.009

Water Solubility, LogSw

-4.74

Polar Surface Area

63.480

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

J024-0309 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 J024-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0309?
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What is the minimum amount of J024-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0309
  • 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 J024-0309 available by request