J030-0367 Screening compound: N~2~,N~2~-dimethyl-11-oxo-3-(1-pyrrolidinyl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0367 Screening compound: N~2~,N~2~-dimethyl-11-oxo-3-(1-pyrrolidinyl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0367 Screening compound: N~2~,N~2~-dimethyl-11-oxo-3-(1-pyrrolidinyl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0367
N~2~,N~2~-dimethyl-11-oxo-3-(1-pyrrolidinyl)-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

J030-0367

Molecular Formula

C19H21N3O4S (C19 H21 N3 O4 S)

Compound Name

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

IUPAC name

NN-dimethyl-10-oxo-14-(pyrrolidin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

CN(C)S(c(cc(c(Oc(cccc1)c1N1)c2)C1=O)c2N1CCCC1)(=O)=O

InChI

InChI=1S/C19H21N3O4S/c1-21(2)27(24,25)18-11-13-17(12-15(18)22-9-5-6-10-22)26-16-8-4-3-7-14(16)20-19(13)23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,20,23)

InChI Key

YFVXWWAGURBVQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.97

Polar Surface Area

69.521

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

J030-0367 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Lipid Metabolism Library (9174 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0367?
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What is the minimum amount of J030-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0367
  • 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 J030-0367 available by request