J030-0626 Screening compound: 3-(3,4-dimethylphenoxy)-N~2~-(2-methoxyethyl)-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0626 Screening compound: 3-(3,4-dimethylphenoxy)-N~2~-(2-methoxyethyl)-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0626 Screening compound: 3-(3,4-dimethylphenoxy)-N~2~-(2-methoxyethyl)-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0626
3-(3,4-dimethylphenoxy)-N~2~-(2-methoxyethyl)-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

J030-0626

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

3-(3,4-dimethylphenoxy)-N~2~-(2-methoxyethyl)-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-(34-dimethylphenoxy)-N-(2-methoxyethyl)-N-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)c(C)cc1Oc(cc(c1c2)Oc(cccc3)c3NC1=O)c2S(N(C)CCOC)(=O)=O

InChI

InChI=1S/C25H26N2O6S/c1-16-9-10-18(13-17(16)2)32-23-15-22-19(14-24(23)34(29,30)27(3)11-12-31-4)25(28)26-20-7-5-6-8-21(20)33-22/h5-10,13-15H,11-12H2,1-4H3,(H,26,28)

InChI Key

IIQQGLVEMHRXGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.53

Polar Surface Area

80.331

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

J030-0626 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0626?
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What is the minimum amount of J030-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0626
  • 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 J030-0626 available by request