J098-0003 Screening compound: [5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](morpholino)methanone

J098-0003 Screening compound: [5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](morpholino)methanone
J098-0003 Screening compound: [5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0003
[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](morpholino)methanone

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

J098-0003

Molecular Formula

C15H20N2O5S (C15 H20 N2 O5 S)

Compound Name

[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](morpholino)methanone

IUPAC name

n/a

SMILES

CS(N(CC1)c(cccc2)c2OC1C(N1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C15H20N2O5S/c1-23(19,20)17-7-6-14(15(18)16-8-10-21-11-9-16)22-13-5-3-2-4-12(13)17/h2-5,14H,6-11H2,1H3/t14-/m1/s1

InChI Key

RRDCWKNLBCYBEJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD13982284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.492

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-2.01

Polar Surface Area

63.110

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

J098-0003 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J098-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0003?
Check Price and Availability of J098-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J098-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0003
  • 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 J098-0003 available by request