J024-0403 Screening compound: 10-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

J024-0403 Screening compound: 10-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
J024-0403 Screening compound: 10-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)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 J024-0403
10-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)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

J024-0403

Molecular Formula

C26H22N4O3S (C26 H22 N4 O3 S)

Compound Name

10-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetyl]-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-[2-(1H-13-benzodiazol-2-ylsulfanyl)acetyl]-10-(furan-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)N(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O

InChI

InChI=1S/C26H22N4O3S/c31-21-12-5-10-19-24(21)25(22-13-6-14-33-22)30(20-11-4-3-9-18(20)27-19)23(32)15-34-26-28-16-7-1-2-8-17(16)29-26/h1-4,6-9,11,13-14,25,27H,5,10,12,15H2,(H,28,29)/t25-/m0/s1

InChI Key

YQJGDOKEFXIRHE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15078709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.25

Polar Surface Area

65.229

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

J024-0403 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0403?
Check Price and Availability of J024-0403, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J024-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0403
  • 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 J024-0403 available by request