E199-0554 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E199-0554 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E199-0554 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0554
N-[(2H-1,3-benzodioxol-5-yl)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

E199-0554

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methyl-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CN1c(cc(cc2)S(NCc(cc3)cc4c3OCO4)(=O)=O)c2OCC1

InChI

InChI=1S/C17H18N2O5S/c1-19-6-7-22-15-5-3-13(9-14(15)19)25(20,21)18-10-12-2-4-16-17(8-12)24-11-23-16/h2-5,8-9,18H,6-7,10-11H2,1H3

InChI Key

SZJUARYIACFZKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845269

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

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-3.15

Polar Surface Area

69.613

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E199-0554 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with E199-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0554?
Check Price and Availability of E199-0554, 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 E199-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0554
  • 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 E199-0554 available by request