M950-1698 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine

M950-1698 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine
M950-1698 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M950-1698
1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine

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

M950-1698

Molecular Formula

C19H28N4O3S (C19 H28 N4 O3 S)

Compound Name

1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine

IUPAC name

1-{[5-(5-cyclobutyl-134-oxadiazol-2-yl)-124-trimethyl-1H-pyrrol-3-yl]sulfonyl}-4-methylpiperidine

SMILES

CC(CC1)CCN1S(c1c(C)n(C)c(-c2nnc(C3CCC3)o2)c1C)(=O)=O

InChI

InChI=1S/C19H28N4O3S/c1-12-8-10-23(11-9-12)27(24,25)17-13(2)16(22(4)14(17)3)19-21-20-18(26-19)15-6-5-7-15/h12,15H,5-11H2,1-4H3

InChI Key

CPMQOIBMQSAZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.27

Polar Surface Area

64.525

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

M950-1698 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M950-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M950-1698?
Check Price and Availability of M950-1698, 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 M950-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M950-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M950-1698
  • 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 M950-1698 available by request