J024-0537 Screening compound: 10-(2-chlorobenzyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0537 Screening compound: 10-(2-chlorobenzyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0537 Screening compound: 10-(2-chlorobenzyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0537
10-(2-chlorobenzyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

J024-0537

Molecular Formula

C24H21ClN2OS (C24 H21 ClN2 OS)

Compound Name

10-(2-chlorobenzyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-[(2-chlorophenyl)methyl]-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(CCC1)C2=C1Nc(cccc1)c1N(Cc(cccc1)c1Cl)C2c1cccs1

InChI

InChI=1S/C24H21ClN2OS/c25-17-8-2-1-7-16(17)15-27-20-11-4-3-9-18(20)26-19-10-5-12-21(28)23(19)24(27)22-13-6-14-29-22/h1-4,6-9,11,13-14,24,26H,5,10,12,15H2/t24-/m0/s1

InChI Key

GDFLRPUBZXYWFT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15078722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.905

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-5.95

Polar Surface Area

27.599

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

J024-0537 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0537?
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What is the minimum amount of J024-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0537
  • 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 J024-0537 available by request