J024-0751 Screening compound: 10-(phenylsulfonyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0751 Screening compound: 10-(phenylsulfonyl)-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0751 Screening compound: 10-(phenylsulfonyl)-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 J024-0751
10-(phenylsulfonyl)-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

J024-0751

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)C(C2c3cccs3)=C1Nc(cccc1)c1N2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H20N2O3S2/c26-20-13-6-11-18-22(20)23(21-14-7-15-29-21)25(19-12-5-4-10-17(19)24-18)30(27,28)16-8-2-1-3-9-16/h1-5,7-10,12,14-15,23-24H,6,11,13H2/t23-/m0/s1

InChI Key

JAXVMSWGKWXILJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15078798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.53

Polar Surface Area

56.799

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

J024-0751 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J024-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0751?
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What is the minimum amount of J024-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0751
  • 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 J024-0751 available by request