G805-0538 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0538 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0538 Screening compound: N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0538
N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-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

G805-0538

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CCOc1ccc(CNS(c(cc2OC3)c(C)cc2NC3=O)(=O)=O)cc1

InChI

InChI=1S/C18H20N2O5S/c1-3-24-14-6-4-13(5-7-14)10-19-26(22,23)17-9-16-15(8-12(17)2)20-18(21)11-25-16/h4-9,19H,3,10-11H2,1-2H3,(H,20,21)

InChI Key

RECIOPUABXKTPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.90

Polar Surface Area

82.390

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G805-0538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G805-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0538?
Check Price and Availability of G805-0538, 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 G805-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0538
  • 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 G805-0538 available by request