M027-0286 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazole-5-carboxamide

M027-0286 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazole-5-carboxamide
M027-0286 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-0286
3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-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

M027-0286

Molecular Formula

C24H27FN4O4S (C24 H27 FN4 O4 S)

Compound Name

3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(benzenesulfonyl)ethyl]-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CCS(c2ccccc2)(=O)=O)no1)NCC1CCN(Cc(cccc2)c2F)CC1

InChI

InChI=1S/C24H27FN4O4S/c25-21-9-5-4-6-19(21)17-29-13-10-18(11-14-29)16-26-23(30)24-27-22(28-33-24)12-15-34(31,32)20-7-2-1-3-8-20/h1-9,18H,10-17H2,(H,26,30)

InChI Key

PCHVLTVYAAMIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-3.50

Polar Surface Area

90.089

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M027-0286 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 M027-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-0286?
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What is the minimum amount of M027-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-0286
  • 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 M027-0286 available by request