M027-1516 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

M027-1516 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
M027-1516 Screening compound: 3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1516
3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)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

M027-1516

Molecular Formula

C22H25N3O8S (C22 H25 N3 O8 S)

Compound Name

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

IUPAC name

3-[2-(4-methoxybenzenesulfonyl)ethyl]-N-[(345-trimethoxyphenyl)methyl]-124-oxadiazole-5-carboxamide

SMILES

COc(cc1)ccc1S(CCc1noc(C(NCc(cc2OC)cc(OC)c2OC)=O)n1)(=O)=O

InChI

InChI=1S/C22H25N3O8S/c1-29-15-5-7-16(8-6-15)34(27,28)10-9-19-24-22(33-25-19)21(26)23-13-14-11-17(30-2)20(32-4)18(12-14)31-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)

InChI Key

CIAHCXZXBBOXMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

1.861

Water Solubility, LogSw

-2.76

Polar Surface Area

116.878

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M027-1516 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 M027-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1516?
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What is the minimum amount of M027-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1516
  • 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 M027-1516 available by request