C517-5296 Screening compound: N-(2,5-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C517-5296 Screening compound: N-(2,5-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C517-5296 Screening compound: N-(2,5-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5296
N-(2,5-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

C517-5296

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-(25-dimethylphenyl)-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

Cc1cc(NS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)c(C)cc1

InChI

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

InChI Key

XHGHGZCOIBZYCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718606

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

2.489

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.93

Polar Surface Area

63.056

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

C517-5296 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C517-5296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5296?
Check Price and Availability of C517-5296, 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 C517-5296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5296
  • 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 C517-5296 available by request