M027-0074 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

M027-0074 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
M027-0074 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-0074
3-[2-(benzenesulfonyl)ethyl]-N-[(2H-1,3-benzodioxol-5-yl)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

M027-0074

Molecular Formula

C19H17N3O6S (C19 H17 N3 O6 S)

Compound Name

3-[2-(benzenesulfonyl)ethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(benzenesulfonyl)ethyl]-N-[(2H-13-benzodioxol-5-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CCS(c2ccccc2)(=O)=O)no1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H17N3O6S/c23-18(20-11-13-6-7-15-16(10-13)27-12-26-15)19-21-17(22-28-19)8-9-29(24,25)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2,(H,20,23)

InChI Key

RCRSOWZOCOROAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.59

Polar Surface Area

103.471

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M027-0074 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M027-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-0074?
Check Price and Availability of M027-0074, 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 M027-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-0074
  • 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 M027-0074 available by request