J030-1312 Screening compound: N~2~-cyclohexyl-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1312 Screening compound: N~2~-cyclohexyl-N~2~,8-dimethyl-11-oxo-3-(3-pyridyloxy)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1312 Screening compound: N~2~-cyclohexyl-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 J030-1312
N~2~-cyclohexyl-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

J030-1312

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

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

IUPAC name

N-cyclohexyl-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)C1CCCCC1)(=O)=O

InChI

InChI=1S/C26H27N3O5S/c1-17-10-11-22-21(13-17)28-26(30)20-14-25(35(31,32)29(2)18-7-4-3-5-8-18)24(15-23(20)34-22)33-19-9-6-12-27-16-19/h6,9-16,18H,3-5,7-8H2,1-2H3,(H,28,30)

InChI Key

OXLDTHMTORPMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.28

Polar Surface Area

81.347

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

J030-1312 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1312?
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What is the minimum amount of J030-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1312
  • 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 J030-1312 available by request