J030-0494 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0494 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0494 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0494
3-(1,3-benzodioxol-5-yloxy)-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-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

J030-0494

Molecular Formula

C24H20N2O8S (C24 H20 N2 O8 S)

Compound Name

3-(1,3-benzodioxol-5-yloxy)-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

14-(2H-13-benzodioxol-5-yloxy)-13-(morpholine-4-sulfonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one

SMILES

O=C(c1c2)Nc(cccc3)c3Oc1cc(Oc(cc1)cc3c1OCO3)c2S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C24H20N2O8S/c27-24-16-12-23(35(28,29)26-7-9-30-10-8-26)22(33-15-5-6-19-21(11-15)32-14-31-19)13-20(16)34-18-4-2-1-3-17(18)25-24/h1-6,11-13H,7-10,14H2,(H,25,27)

InChI Key

OGJYPZGXJHZRRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.87

Polar Surface Area

95.909

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J030-0494 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0494?
Check Price and Availability of J030-0494, 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 J030-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0494
  • 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 J030-0494 available by request