E204-0069 Screening compound: 1-[6-(azepane-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

E204-0069 Screening compound: 1-[6-(azepane-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one
E204-0069 Screening compound: 1-[6-(azepane-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0069
1-[6-(azepane-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

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

E204-0069

Molecular Formula

C16H22N2O4S (C16 H22 N2 O4 S)

Compound Name

1-[6-(azepane-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

IUPAC name

1-[6-(azepane-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C16H22N2O4S/c1-13(19)18-10-11-22-16-7-6-14(12-15(16)18)23(20,21)17-8-4-2-3-5-9-17/h6-7,12H,2-5,8-11H2,1H3

InChI Key

LNGNXJOIBOQJDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-2.67

Polar Surface Area

56.284

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

E204-0069 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E204-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0069?
Check Price and Availability of E204-0069, 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 E204-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0069
  • 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 E204-0069 available by request