M027-1449 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M027-1449 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M027-1449 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1449
3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-sulfamoylphenyl)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

M027-1449

Molecular Formula

C20H22N4O7S2 (C20 H22 N4 O7 S2)

Compound Name

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

IUPAC name

3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

COc(cc1)ccc1S(CCc1noc(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)n1)(=O)=O

InChI

InChI=1S/C20H22N4O7S2/c1-30-15-4-8-16(9-5-15)32(26,27)13-11-18-23-20(31-24-18)19(25)22-12-10-14-2-6-17(7-3-14)33(21,28)29/h2-9H,10-13H2,1H3,(H,22,25)(H2,21,28,29)

InChI Key

WVPYFVHGBVHQHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.373

Distribution Coefficient, logD

0.373

Water Solubility, LogSw

-2.14

Polar Surface Area

144.344

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M027-1449 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M027-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1449?
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What is the minimum amount of M027-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1449
  • 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 M027-1449 available by request