C528-0089 Screening compound: 2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(morpholin-4-yl)ethyl]acetamide

C528-0089 Screening compound: 2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(morpholin-4-yl)ethyl]acetamide
C528-0089 Screening compound: 2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-0089
2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}-N-[2-(morpholin-4-yl)ethyl]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

C528-0089

Molecular Formula

C20H27N3O6S (C20 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CS(CC(NCCN2CCOCC2)=O)(=O)=O)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C20H27N3O6S/c1-15-18(22-20(29-15)16-3-5-17(27-2)6-4-16)13-30(25,26)14-19(24)21-7-8-23-9-11-28-12-10-23/h3-6H,7-14H2,1-2H3,(H,21,24)

InChI Key

KJHGWTMMMXQWPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.293

Distribution Coefficient, logD

0.261

Water Solubility, LogSw

-2.11

Polar Surface Area

90.137

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C528-0089 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C528-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-0089?
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What is the minimum amount of C528-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-0089
  • 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 C528-0089 available by request