J024-0660 Screening compound: N~1~-cycloheptyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

J024-0660 Screening compound: N~1~-cycloheptyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
J024-0660 Screening compound: N~1~-cycloheptyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0660
N~1~-cycloheptyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

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

J024-0660

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O)NC1CCCCCC1

InChI

InChI=1S/C26H31N3O2S/c30-22-14-7-12-20-25(22)26(23-15-8-16-32-23)29(21-13-6-5-11-19(21)28-20)17-24(31)27-18-9-3-1-2-4-10-18/h5-6,8,11,13,15-16,18,26,28H,1-4,7,9-10,12,14,17H2,(H,27,31)/t26-/m0/s1

InChI Key

IEXMAOLARYSGDZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD15078773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.131

Water Solubility, LogSw

-5.16

Polar Surface Area

52.126

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

J024-0660 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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
  • 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 J024-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0660?
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What is the minimum amount of J024-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0660
  • 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 J024-0660 available by request