M027-1164 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M027-1164 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M027-1164 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(4-fluorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-1164
N-[2-(3,4-diethoxyphenyl)ethyl]-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

M027-1164

Molecular Formula

C23H26FN3O6S (C23 H26 FN3 O6 S)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-[2-(4-fluorobenzenesulfonyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

CCOc(ccc(CCNC(c1nc(CCS(c(cc2)ccc2F)(=O)=O)no1)=O)c1)c1OCC

InChI

InChI=1S/C23H26FN3O6S/c1-3-31-19-10-5-16(15-20(19)32-4-2)11-13-25-22(28)23-26-21(27-33-23)12-14-34(29,30)18-8-6-17(24)7-9-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,28)

InChI Key

ISBCSSDDMWLNNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.068

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-2.93

Polar Surface Area

100.618

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

M027-1164 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)

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 M027-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-1164?
Check Price and Availability of M027-1164, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M027-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-1164
  • 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 M027-1164 available by request