Z606-0558 Screening compound: 3-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)benzonitrile

Z606-0558 Screening compound: 3-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)benzonitrile
Z606-0558 Screening compound: 3-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Z606-0558
3-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)benzonitrile

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

Z606-0558

Molecular Formula

C15H12N2O3S (C15 H12 N2 O3 S)

Compound Name

3-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)benzonitrile

IUPAC name

3-(34-dihydro-2H-14-benzoxazine-4-sulfonyl)benzonitrile

SMILES

N#Cc1cccc(S(N2c(cccc3)c3OCC2)(=O)=O)c1

InChI

InChI=1S/C15H12N2O3S/c16-11-12-4-3-5-13(10-12)21(18,19)17-8-9-20-15-7-2-1-6-14(15)17/h1-7,10H,8-9H2

InChI Key

CAPQHIPEPHOVMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27640446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.70

Polar Surface Area

56.398

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Z606-0558 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with Z606-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z606-0558?
Check Price and Availability of Z606-0558, 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 Z606-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z606-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z606-0558
  • 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 Z606-0558 available by request