M027-1187 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M027-1187 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M027-1187 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1187
N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)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

M027-1187

Molecular Formula

C22H25FN4O4S (C22 H25 FN4 O4 S)

Compound Name

N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-{3-[ethyl(phenyl)amino]propyl}-3-[2-(4-fluorobenzenesulfonyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

CCN(CCCNC(c1nc(CCS(c(cc2)ccc2F)(=O)=O)no1)=O)c1ccccc1

InChI

InChI=1S/C22H25FN4O4S/c1-2-27(18-7-4-3-5-8-18)15-6-14-24-21(28)22-25-20(26-31-22)13-16-32(29,30)19-11-9-17(23)10-12-19/h3-5,7-12H,2,6,13-16H2,1H3,(H,24,28)

InChI Key

WMVBPVLNURSLFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.48

Polar Surface Area

89.187

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with M027-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1187?
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What is the minimum amount of M027-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1187
  • 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 M027-1187 available by request