J024-0258 Screening compound: N~10~-cyclopentyl-3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0258 Screening compound: N~10~-cyclopentyl-3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0258 Screening compound: N~10~-cyclopentyl-3,3-dimethyl-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 J024-0258
N~10~-cyclopentyl-3,3-dimethyl-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

J024-0258

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

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

IUPAC name

N-cyclopentyl-1414-dimethyl-12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3cccs3)C(NC3CCCC3)=O)=C2C1=O

InChI

InChI=1S/C25H29N3O2S/c1-25(2)14-18-22(20(29)15-25)23(21-12-7-13-31-21)28(19-11-6-5-10-17(19)27-18)24(30)26-16-8-3-4-9-16/h5-7,10-13,16,23,27H,3-4,8-9,14-15H2,1-2H3,(H,26,30)/t23-/m0/s1

InChI Key

DDNHFMGKKCPSLG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15078659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.07

Polar Surface Area

50.417

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

J024-0258 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J024-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0258?
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What is the minimum amount of J024-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0258
  • 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 J024-0258 available by request