J030-0690 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-N~2~-ethyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0690 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-N~2~-ethyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0690 Screening compound: 3-(1,3-benzodioxol-5-yloxy)-N~2~-ethyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0690
3-(1,3-benzodioxol-5-yloxy)-N~2~-ethyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

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

J030-0690

Molecular Formula

C23H20N2O7S (C23 H20 N2 O7 S)

Compound Name

3-(1,3-benzodioxol-5-yloxy)-N~2~-ethyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-(2H-13-benzodioxol-5-yloxy)-N-ethyl-N-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

CCN(C)S(c(cc(c(Oc(cccc1)c1N1)c2)C1=O)c2Oc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C23H20N2O7S/c1-3-25(2)33(27,28)22-11-15-19(32-17-7-5-4-6-16(17)24-23(15)26)12-21(22)31-14-8-9-18-20(10-14)30-13-29-18/h4-12H,3,13H2,1-2H3,(H,24,26)

InChI Key

KAOIVPOWGZVWPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.04

Polar Surface Area

88.850

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J030-0690 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 J030-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0690?
Check Price and Availability of J030-0690, 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 J030-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0690
  • 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 J030-0690 available by request