C527-1152 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide

C527-1152 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
C527-1152 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-1152
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[5-methyl-2-(2-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

C527-1152

Molecular Formula

C26H32N2O5S (C26 H32 N2 O5 S)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-{[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methanesulfinyl}acetamide

SMILES

CCOc(ccc(CCNC(CS(Cc1c(C)oc(-c2c(C)cccc2)n1)=O)=O)c1)c1OCC

InChI

InChI=1S/C26H34N2O5S/c1-5-31-23-12-11-20(15-24(23)32-6-2)13-14-27-25(29)17-34(30)16-22-19(4)33-26(28-22)21-10-8-7-9-18(21)3/h7-12,15H,5-6,13-14,16-17,34H2,1-4H3,(H,27,29)

InChI Key

FWPRMMCDFQBRLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.736

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.41

Polar Surface Area

71.866

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C527-1152 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 C527-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-1152?
Check Price and Availability of C527-1152, 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 C527-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-1152
  • 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 C527-1152 available by request