C517-5369 Screening compound: N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C517-5369 Screening compound: N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C517-5369 Screening compound: N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5369
N-(3-fluoro-4-methylphenyl)-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

C517-5369

Molecular Formula

C15H13FN2O4S (C15 H13 FN2 O4 S)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

Cc(ccc(NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)c1)c1F

InChI

InChI=1S/C15H13FN2O4S/c1-9-3-4-10(7-12(9)16)17-23(20,21)11-5-6-13-14(8-11)22-15(19)18(13)2/h3-8,17H,1-2H3

InChI Key

FEEMTNADXWMRDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10982164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

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

2.820

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.51

Polar Surface Area

63.754

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

C517-5369 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C517-5369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5369?
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What is the minimum amount of C517-5369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5369
  • 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 C517-5369 available by request