C796-0286 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide

C796-0286 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
C796-0286 Screening compound: N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0286
N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}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

C796-0286

Molecular Formula

C21H21FN2O5S (C21 H21 FN2 O5 S)

Compound Name

N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide

IUPAC name

N-[(3-fluorophenyl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methanesulfonyl}acetamide

SMILES

Cc1c(CS(CC(NCc2cc(F)ccc2)=O)(=O)=O)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C21H21FN2O5S/c1-14-19(24-21(29-14)16-6-8-18(28-2)9-7-16)12-30(26,27)13-20(25)23-11-15-4-3-5-17(22)10-15/h3-10H,11-13H2,1-2H3,(H,23,25)

InChI Key

QWGMBXFGOBMGMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-2.85

Polar Surface Area

78.404

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C796-0286 in Drug Discovery

Included in Screening Libraries

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 C796-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0286?
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What is the minimum amount of C796-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0286
  • 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 C796-0286 available by request