S592-0608 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)propan-1-one

S592-0608 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)propan-1-one
S592-0608 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S592-0608
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}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

S592-0608

Molecular Formula

C21H24FN5O3 (C21 H24 FN5 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-(3-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}pyrrolidin-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(CC1)CC1c1noc(COc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C21H24FN5O3/c1-14-11-15(2)27(24-14)10-8-20(28)26-9-7-16(12-26)21-23-19(30-25-21)13-29-18-5-3-17(22)4-6-18/h3-6,11,16H,7-10,12-13H2,1-2H3/t16-/m0/s1

InChI Key

OKELNLIQKVCFKB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31963502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.28

Polar Surface Area

69.215

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S592-0608 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S592-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S592-0608?
Check Price and Availability of S592-0608, 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 S592-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S592-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S592-0608
  • 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 S592-0608 available by request