C528-0379 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-(2-methylcyclohexyl)acetamide

C528-0379 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-(2-methylcyclohexyl)acetamide
C528-0379 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-(2-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-0379
2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-N-(2-methylcyclohexyl)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

C528-0379

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1NC(CS(Cc1c(C)oc(-c2ccc(C)cc2)n1)(=O)=O)=O

InChI

InChI=1S/C21H28N2O4S/c1-14-8-10-17(11-9-14)21-23-19(16(3)27-21)12-28(25,26)13-20(24)22-18-7-5-4-6-15(18)2/h8-11,15,18H,4-7,12-13H2,1-3H3,(H,22,24)

InChI Key

IONZJPCMZMTADB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.86

Polar Surface Area

70.976

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

C528-0379 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C528-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-0379?
Check Price and Availability of C528-0379, 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 C528-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-0379
  • 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 C528-0379 available by request