G805-0537 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0537 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0537 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0537
N-[(4-ethoxy-3-methoxyphenyl)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

G805-0537

Molecular Formula

C19H22N2O6S (C19 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CNS(c(cc1OC2)c(C)cc1NC2=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C19H22N2O6S/c1-4-26-15-6-5-13(8-17(15)25-3)10-20-28(23,24)18-9-16-14(7-12(18)2)21-19(22)11-27-16/h5-9,20H,4,10-11H2,1-3H3,(H,21,22)

InChI Key

JIHWHRFQQASPQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.64

Polar Surface Area

90.108

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G805-0537 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G805-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0537?
Check Price and Availability of G805-0537, 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 G805-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0537
  • 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 G805-0537 available by request