J024-0126 Screening compound: N~1~-(3-methoxypropyl)-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

J024-0126 Screening compound: N~1~-(3-methoxypropyl)-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
J024-0126 Screening compound: N~1~-(3-methoxypropyl)-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 J024-0126
N~1~-(3-methoxypropyl)-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

J024-0126

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

N~1~-(3-methoxypropyl)-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-(3-methoxypropyl)-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

COCCCNC(CN(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C23H27N3O3S/c1-29-13-6-12-24-21(28)15-26-18-9-3-2-7-16(18)25-17-8-4-10-19(27)22(17)23(26)20-11-5-14-30-20/h2-3,5,7,9,11,14,23,25H,4,6,8,10,12-13,15H2,1H3,(H,24,28)/t23-/m0/s1

InChI Key

KPQBVQNYENZZNY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15078612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.57

Polar Surface Area

60.526

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J024-0126 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J024-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0126
  • 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 J024-0126 available by request