C517-5417 Screening compound: N~6~-(2,5-diethoxyphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C517-5417 Screening compound: N~6~-(2,5-diethoxyphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C517-5417 Screening compound: N~6~-(2,5-diethoxyphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5417
N~6~-(2,5-diethoxyphenyl)-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

C517-5417

Molecular Formula

C18H20N2O6S (C18 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc(NS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)c1OCC

InChI

InChI=1S/C18H20N2O6S/c1-4-24-12-6-9-16(25-5-2)14(10-12)19-27(22,23)13-7-8-15-17(11-13)26-18(21)20(15)3/h6-11,19H,4-5H2,1-3H3

InChI Key

PLEKOYUYTRQDMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.64

Polar Surface Area

77.390

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

C517-5417 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 C517-5417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5417?
Check Price and Availability of C517-5417, 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 C517-5417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5417
  • 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 C517-5417 available by request