J030-0091 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0091 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0091 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0091
N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-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

J030-0091

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

N-(2-methoxyethyl)-N6-dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)cc(N2)c1Oc(ccc(S(N(C)CCOC)(=O)=O)c1)c1C2=O

InChI

InChI=1S/C18H20N2O5S/c1-12-4-6-17-15(10-12)19-18(21)14-11-13(5-7-16(14)25-17)26(22,23)20(2)8-9-24-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)

InChI Key

JBVKWQFJZMERFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-3.11

Polar Surface Area

73.497

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J030-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0091?
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What is the minimum amount of J030-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0091
  • 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 J030-0091 available by request