J024-0117 Screening compound: N~1~-cyclohexyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

J024-0117 Screening compound: N~1~-cyclohexyl-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
J024-0117 Screening compound: N~1~-cyclohexyl-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 J024-0117
N~1~-cyclohexyl-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

J024-0117

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

N~1~-cyclohexyl-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-cyclohexyl-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)NC1CCCCC1

InChI

InChI=1S/C25H29N3O2S/c29-21-13-6-11-19-24(21)25(22-14-7-15-31-22)28(20-12-5-4-10-18(20)27-19)16-23(30)26-17-8-2-1-3-9-17/h4-5,7,10,12,14-15,17,25,27H,1-3,6,8-9,11,13,16H2,(H,26,30)/t25-/m0/s1

InChI Key

UNHZBGQFDSEKHE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15078604

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.57

Polar Surface Area

51.795

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

J024-0117 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0117?
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What is the minimum amount of J024-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0117
  • 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 J024-0117 available by request