J024-0735 Screening compound: 10-[(3-chloro-4-fluorophenyl)sulfonyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0735 Screening compound: 10-[(3-chloro-4-fluorophenyl)sulfonyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0735 Screening compound: 10-[(3-chloro-4-fluorophenyl)sulfonyl]-11-(2-furyl)-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 J024-0735
10-[(3-chloro-4-fluorophenyl)sulfonyl]-11-(2-furyl)-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

J024-0735

Molecular Formula

C23H18ClFN2O4S (C23 H18 ClFN2 O4 S)

Compound Name

10-[(3-chloro-4-fluorophenyl)sulfonyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-(3-chloro-4-fluorobenzenesulfonyl)-10-(furan-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(CCC1)C(C2c3ccco3)=C1Nc(cccc1)c1N2S(c(cc1)cc(Cl)c1F)(=O)=O

InChI

InChI=1S/C23H18ClFN2O4S/c24-15-13-14(10-11-16(15)25)32(29,30)27-19-7-2-1-5-17(19)26-18-6-3-8-20(28)22(18)23(27)21-9-4-12-31-21/h1-2,4-5,7,9-13,23,26H,3,6,8H2/t23-/m0/s1

InChI Key

YNECMXKGBPCEEZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15078791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-5.02

Polar Surface Area

64.359

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

J024-0735 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 J024-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0735?
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What is the minimum amount of J024-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0735
  • 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 J024-0735 available by request