S935-0076 Screening compound: 2-methyl-1-{2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one

S935-0076 Screening compound: 2-methyl-1-{2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one
S935-0076 Screening compound: 2-methyl-1-{2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S935-0076
2-methyl-1-{2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one

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

S935-0076

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

2-methyl-1-{2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one

IUPAC name

2-methyl-1-{2-[(5-phenyl-124-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}propan-1-one

SMILES

CC(C)C(N1C(Cc2noc(-c3ccccc3)n2)CCC1)=O

InChI

InChI=1S/C17H21N3O2/c1-12(2)17(21)20-10-6-9-14(20)11-15-18-16(22-19-15)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-/m1/s1

InChI Key

JCAJYWQOYXGCRX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31995508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.11

Polar Surface Area

49.567

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S935-0076 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S935-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S935-0076?
Check Price and Availability of S935-0076, 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 S935-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S935-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S935-0076
  • 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 S935-0076 available by request