E199-0543 Screening compound: N-[(4-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E199-0543 Screening compound: N-[(4-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E199-0543 Screening compound: N-[(4-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0543
N-[(4-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-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

E199-0543

Molecular Formula

C17H20N2O4S (C17 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN1c(cc(cc2)S(NCc(cc3)ccc3OC)(=O)=O)c2OCC1

InChI

InChI=1S/C17H20N2O4S/c1-19-9-10-23-17-8-7-15(11-16(17)19)24(20,21)18-12-13-3-5-14(22-2)6-4-13/h3-8,11,18H,9-10,12H2,1-2H3

InChI Key

JCLZWUALAGMGNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.44

Polar Surface Area

60.041

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E199-0543 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E199-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0543?
Check Price and Availability of E199-0543, 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 E199-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0543
  • 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 E199-0543 available by request