8013-0014 Screening compound: N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanesulfonamide

8013-0014 Screening compound: N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanesulfonamide
8013-0014 Screening compound: N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0014
N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanesulfonamide

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

8013-0014

Molecular Formula

C16H17N3O4S (C16 H17 N3 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}methanesulfonamide

IUPAC name

N-[(furan-2-yl)methyl]-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}methanesulfonamide

SMILES

Cc(cc1)ccc1-c1noc(CN(Cc2ccco2)S(C)(=O)=O)n1

InChI

InChI=1S/C16H17N3O4S/c1-12-5-7-13(8-6-12)16-17-15(23-18-16)11-19(24(2,20)21)10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3

InChI Key

CDWDBQTWOQKRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.33

Polar Surface Area

70.198

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-0014 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0014?
Check Price and Availability of 8013-0014, 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 8013-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0014
  • 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 8013-0014 available by request