M952-0965 Screening compound: 4-{[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}morpholine

M952-0965 Screening compound: 4-{[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}morpholine
M952-0965 Screening compound: 4-{[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound M952-0965
4-{[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}morpholine

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

M952-0965

Molecular Formula

C16H22N4O4S (C16 H22 N4 O4 S)

Compound Name

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

IUPAC name

4-{[4-(5-cyclobutyl-134-oxadiazol-2-yl)-25-dimethyl-1H-pyrrol-3-yl]sulfonyl}morpholine

SMILES

Cc([nH]c(C)c1S(N2CCOCC2)(=O)=O)c1-c1nnc(C2CCC2)o1

InChI

InChI=1S/C16H22N4O4S/c1-10-13(16-19-18-15(24-16)12-4-3-5-12)14(11(2)17-10)25(21,22)20-6-8-23-9-7-20/h12,17H,3-9H2,1-2H3

InChI Key

SQAKWVHSGLZTEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-1.83

Polar Surface Area

81.413

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

M952-0965 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 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:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M952-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M952-0965?
Check Price and Availability of M952-0965, 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 M952-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M952-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M952-0965
  • 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 M952-0965 available by request