E199-0525 Screening compound: N-(2,3-dimethylphenyl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E199-0525 Screening compound: N-(2,3-dimethylphenyl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E199-0525 Screening compound: N-(2,3-dimethylphenyl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0525
N-(2,3-dimethylphenyl)-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

E199-0525

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

N-(2,3-dimethylphenyl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

N-(23-dimethylphenyl)-4-methyl-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

Cc1cccc(NS(c(cc2)cc3c2OCCN3C)(=O)=O)c1C

InChI

InChI=1S/C17H20N2O3S/c1-12-5-4-6-15(13(12)2)18-23(20,21)14-7-8-17-16(11-14)19(3)9-10-22-17/h4-8,11,18H,9-10H2,1-3H3

InChI Key

XSVKEYGRSJPALZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.85

Polar Surface Area

50.691

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E199-0525 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E199-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0525?
Check Price and Availability of E199-0525, 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 E199-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0525
  • 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 E199-0525 available by request