J030-0487 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0487 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0487 Screening compound: 3-[4-(4-fluorophenyl)piperazino]-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0487
3-[4-(4-fluorophenyl)piperazino]-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

J030-0487

Molecular Formula

C27H27FN4O5S (C27 H27 FN4 O5 S)

Compound Name

3-[4-(4-fluorophenyl)piperazino]-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

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

SMILES

O=C(c1c2)Nc(cccc3)c3Oc1cc(N(CC1)CCN1c(cc1)ccc1F)c2S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C27H27FN4O5S/c28-19-5-7-20(8-6-19)30-9-11-31(12-10-30)23-18-25-21(27(33)29-22-3-1-2-4-24(22)37-25)17-26(23)38(34,35)32-13-15-36-16-14-32/h1-8,17-18H,9-16H2,(H,29,33)

InChI Key

CEXGPPISQWJYRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.27

Polar Surface Area

78.371

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

J030-0487 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)

KRAS-Targeted Library (16000 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0487?
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What is the minimum amount of J030-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0487
  • 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 J030-0487 available by request