M027-0972 Screening compound: 3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

M027-0972 Screening compound: 3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
M027-0972 Screening compound: 3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-0972
3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-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

M027-0972

Molecular Formula

C17H15FN4O4S (C17 H15 FN4 O4 S)

Compound Name

3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(4-fluorobenzenesulfonyl)ethyl]-N-[(pyridin-2-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CCS(c(cc2)ccc2F)(=O)=O)no1)NCc1ncccc1

InChI

InChI=1S/C17H15FN4O4S/c18-12-4-6-14(7-5-12)27(24,25)10-8-15-21-17(26-22-15)16(23)20-11-13-3-1-2-9-19-13/h1-7,9H,8,10-11H2,(H,20,23)

InChI Key

UQPOKXLTYKAQCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.216

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-2.34

Polar Surface Area

95.899

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M027-0972 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M027-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-0972?
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What is the minimum amount of M027-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-0972
  • 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 M027-0972 available by request