M027-0555 Screening compound: 3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M027-0555 Screening compound: 3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M027-0555 Screening compound: 3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-0555
3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)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

M027-0555

Molecular Formula

C18H24N4O4S (C18 H24 N4 O4 S)

Compound Name

3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(4-methylbenzenesulfonyl)ethyl]-N-[2-(pyrrolidin-1-yl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

Cc(cc1)ccc1S(CCc1noc(C(NCCN2CCCC2)=O)n1)(=O)=O

InChI

InChI=1S/C18H24N4O4S/c1-14-4-6-15(7-5-14)27(24,25)13-8-16-20-18(26-21-16)17(23)19-9-12-22-10-2-3-11-22/h4-7H,2-3,8-13H2,1H3,(H,19,23)

InChI Key

LDESLTUAKHETJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-2.36

Polar Surface Area

90.546

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with M027-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-0555?
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What is the minimum amount of M027-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-0555
  • 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 M027-0555 available by request