C528-1081 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-propylacetamide

C528-1081 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-propylacetamide
C528-1081 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-1081
2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-propylacetamide

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

C528-1081

Molecular Formula

C17H22N2O4S (C17 H22 N2 O4 S)

Compound Name

2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-propylacetamide

IUPAC name

2-{[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methanesulfonyl}-N-propylacetamide

SMILES

CCCNC(CS(Cc1c(C)oc(-c2c(C)cccc2)n1)(=O)=O)=O

InChI

InChI=1S/C17H22N2O4S/c1-4-9-18-16(20)11-24(21,22)10-15-13(3)23-17(19-15)14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,18,20)

InChI Key

CVOWDWYYTPFKEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.691

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-2.63

Polar Surface Area

70.974

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

C528-1081 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C528-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-1081?
Check Price and Availability of C528-1081, 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 C528-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-1081
  • 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 C528-1081 available by request