C517-5311 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C517-5311 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C517-5311 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5311
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-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

C517-5311

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-(34-dimethylphenyl)-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

Cc(cc1)c(C)cc1NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C16H16N2O4S/c1-10-4-5-12(8-11(10)2)17-23(20,21)13-6-7-14-15(9-13)22-16(19)18(14)3/h4-9,17H,1-3H3

InChI Key

WOHFPYQPLYBUJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.56

Polar Surface Area

63.754

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C517-5311 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C517-5311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5311?
Check Price and Availability of C517-5311, 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 C517-5311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5311
  • 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 C517-5311 available by request