E204-0068 Screening compound: 4-acetyl-N-(3-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0068 Screening compound: 4-acetyl-N-(3-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0068 Screening compound: 4-acetyl-N-(3-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0068
4-acetyl-N-(3-fluorophenyl)-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

E204-0068

Molecular Formula

C16H15FN2O4S (C16 H15 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H15FN2O4S/c1-11(20)19-7-8-23-16-6-5-14(10-15(16)19)24(21,22)18-13-4-2-3-12(17)9-13/h2-6,9-10,18H,7-8H2,1H3

InChI Key

LWHGYVWRTCAMPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.95

Polar Surface Area

64.892

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E204-0068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E204-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0068?
Check Price and Availability of E204-0068, 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 E204-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0068
  • 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 E204-0068 available by request