C527-0735 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide

C527-0735 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
C527-0735 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-0735
N-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}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

C527-0735

Molecular Formula

C21H21FN2O3S (C21 H21 FN2 O3 S)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methanesulfinyl}acetamide

SMILES

Cc1c(CS(CC(NCc(cc2)ccc2F)=O)=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C21H23FN2O3S/c1-14-3-7-17(8-4-14)21-24-19(15(2)27-21)12-28(26)13-20(25)23-11-16-5-9-18(22)10-6-16/h3-10H,11-13,28H2,1-2H3,(H,23,25)

InChI Key

BNJBYVIMUHVHMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.36

Polar Surface Area

57.604

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C527-0735 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C527-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-0735?
Check Price and Availability of C527-0735, 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 C527-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-0735
  • 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 C527-0735 available by request