E204-0031 Screening compound: 4-acetyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0031 Screening compound: 4-acetyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0031 Screening compound: 4-acetyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0031
4-acetyl-N-(3-methoxyphenyl)-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

E204-0031

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

4-acetyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-acetyl-N-(3-methoxyphenyl)-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CC(N1c(cc(cc2)S(Nc3cc(OC)ccc3)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C17H18N2O5S/c1-12(20)19-8-9-24-17-7-6-15(11-16(17)19)25(21,22)18-13-4-3-5-14(10-13)23-2/h3-7,10-11,18H,8-9H2,1-2H3

InChI Key

WXZFLHGQJWXJKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-2.95

Polar Surface Area

72.435

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E204-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E204-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0031?
Check Price and Availability of E204-0031, 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 E204-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0031
  • 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 E204-0031 available by request