E204-0077 Screening compound: 4-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0077 Screening compound: 4-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0077 Screening compound: 4-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0077
4-acetyl-N-[(4-methylphenyl)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

E204-0077

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N1c(cc(cc2)S(NCc3ccc(C)cc3)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C18H20N2O4S/c1-13-3-5-15(6-4-13)12-19-25(22,23)16-7-8-18-17(11-16)20(14(2)21)9-10-24-18/h3-8,11,19H,9-10,12H2,1-2H3

InChI Key

FIRBYYHAKMOOQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.20

Polar Surface Area

66.000

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E204-0077 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E204-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0077?
Check Price and Availability of E204-0077, 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 E204-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0077
  • 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 E204-0077 available by request