C517-4161 Screening compound: 2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide

C517-4161 Screening compound: 2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide
C517-4161 Screening compound: 2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4161
2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide

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

C517-4161

Molecular Formula

C21H22FN3O5S (C21 H22 FN3 O5 S)

Compound Name

2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide

IUPAC name

2-[N-(4-ethoxyphenyl)35-dimethyl-12-oxazole-4-sulfonamido]-N-(3-fluorophenyl)acetamide

SMILES

CCOc(cc1)ccc1N(CC(Nc1cc(F)ccc1)=O)S(c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C21H22FN3O5S/c1-4-29-19-10-8-18(9-11-19)25(31(27,28)21-14(2)24-30-15(21)3)13-20(26)23-17-7-5-6-16(22)12-17/h5-12H,4,13H2,1-3H3,(H,23,26)

InChI Key

SCHAXPQHOGRLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.55

Polar Surface Area

84.103

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C517-4161 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 C517-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4161?
Check Price and Availability of C517-4161, 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 C517-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4161
  • 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 C517-4161 available by request