J030-0961 Screening compound: 3-(4-benzylpiperazino)-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0961 Screening compound: 3-(4-benzylpiperazino)-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0961 Screening compound: 3-(4-benzylpiperazino)-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0961
3-(4-benzylpiperazino)-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

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

J030-0961

Molecular Formula

C29H32N4O5S (C29 H32 N4 O5 S)

Compound Name

3-(4-benzylpiperazino)-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

14-(4-benzylpiperazin-1-yl)-6-methyl-13-(morpholine-4-sulfonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one

SMILES

Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(N1CCN(Cc2ccccc2)CC1)c3S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C29H32N4O5S/c1-21-7-8-26-24(17-21)30-29(34)23-18-28(39(35,36)33-13-15-37-16-14-33)25(19-27(23)38-26)32-11-9-31(10-12-32)20-22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H,30,34)

InChI Key

QOUUWDNUUGSCAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.99

Polar Surface Area

78.652

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

J030-0961 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)

Nucleic Acid Ligands (8311 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
  • 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 J030-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0961?
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What is the minimum amount of J030-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0961
  • 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 J030-0961 available by request