J024-0407 Screening compound: 10-{2-[(4-chlorophenyl)sulfanyl]acetyl}-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0407 Screening compound: 10-{2-[(4-chlorophenyl)sulfanyl]acetyl}-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0407 Screening compound: 10-{2-[(4-chlorophenyl)sulfanyl]acetyl}-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 J024-0407
10-{2-[(4-chlorophenyl)sulfanyl]acetyl}-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

J024-0407

Molecular Formula

C25H21ClN2O3S (C25 H21 ClN2 O3 S)

Compound Name

10-{2-[(4-chlorophenyl)sulfanyl]acetyl}-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

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

SMILES

O=C(CSc(cc1)ccc1Cl)N(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O

InChI

InChI=1S/C25H21ClN2O3S/c26-16-10-12-17(13-11-16)32-15-23(30)28-20-7-2-1-5-18(20)27-19-6-3-8-21(29)24(19)25(28)22-9-4-14-31-22/h1-2,4-5,7,9-14,25,27H,3,6,8,15H2/t25-/m0/s1

InChI Key

VKZUGTJNCQXQCX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD13969173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-5.66

Polar Surface Area

47.216

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J024-0407 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0407?
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What is the minimum amount of J024-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0407
  • 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 J024-0407 available by request