S248-3824 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one

S248-3824 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
S248-3824 Screening compound: 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-3824
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-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

S248-3824

Molecular Formula

C19H24F3N5O3 (C19 H24 F3 N5 O3)

Compound Name

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3-{[5-(oxan-4-yl)-124-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1cc(C(F)(F)F)nn1CC(N1CC(Cc2noc(C3CCOCC3)n2)CC1)=O

InChI

InChI=1S/C19H24F3N5O3/c1-12-8-15(19(20,21)22)24-27(12)11-17(28)26-5-2-13(10-26)9-16-23-18(30-25-16)14-3-6-29-7-4-14/h8,13-14H,2-7,9-11H2,1H3/t13-/m0/s1

InChI Key

SFHDQBZOCNWLNS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31991904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.34

Polar Surface Area

71.356

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S248-3824 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S248-3824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-3824?
Check Price and Availability of S248-3824, 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 S248-3824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-3824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-3824
  • 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 S248-3824 available by request