M027-1512 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M027-1512 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M027-1512 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1512
3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

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

M027-1512

Molecular Formula

C20H28N4O5S (C20 H28 N4 O5 S)

Compound Name

3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

CC1CCN(CCNC(c2nc(CCS(c(cc3)ccc3OC)(=O)=O)no2)=O)CC1

InChI

InChI=1S/C20H28N4O5S/c1-15-7-11-24(12-8-15)13-10-21-19(25)20-22-18(23-29-20)9-14-30(26,27)17-5-3-16(28-2)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,21,25)

InChI Key

HYEWDEMFNLPIFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

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

1.649

Distribution Coefficient, logD

0.159

Water Solubility, LogSw

-2.47

Polar Surface Area

97.724

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

M027-1512 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M027-1512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1512?
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What is the minimum amount of M027-1512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1512
  • 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 M027-1512 available by request