J030-1097 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1097 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1097 Screening compound: N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1097
N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-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

J030-1097

Molecular Formula

C23H23N3O6S (C23 H23 N3 O6 S)

Compound Name

N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

N-(2-methoxyethyl)-N6-dimethyl-10-oxo-14-(pyridin-3-yloxy)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(Oc1cnccc1)c3S(N(C)CCOC)(=O)=O

InChI

InChI=1S/C23H23N3O6S/c1-15-6-7-19-18(11-15)25-23(27)17-12-22(33(28,29)26(2)9-10-30-3)21(13-20(17)32-19)31-16-5-4-8-24-14-16/h4-8,11-14H,9-10H2,1-3H3,(H,25,27)

InChI Key

IXKHLJRCMAKCFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.23

Polar Surface Area

89.849

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J030-1097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1097?
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What is the minimum amount of J030-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1097
  • 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 J030-1097 available by request