S592-0948 Screening compound: {3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}methanol

S592-0948 Screening compound: {3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}methanol
S592-0948 Screening compound: {3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S592-0948
{3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}methanol

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

S592-0948

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

{3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}methanol

IUPAC name

{3-[1-(3-methylbenzoyl)pyrrolidin-3-yl]-124-oxadiazol-5-yl}methanol

SMILES

Cc1cccc(C(N(CC2)CC2c2noc(CO)n2)=O)c1

InChI

InChI=1S/C15H17N3O3/c1-10-3-2-4-11(7-10)15(20)18-6-5-12(8-18)14-16-13(9-19)21-17-14/h2-4,7,12,19H,5-6,8-9H2,1H3/t12-/m1/s1

InChI Key

FRRUPFOWQIKIFO-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30463056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-1.74

Polar Surface Area

65.644

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S592-0948 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S592-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S592-0948?
Check Price and Availability of S592-0948, 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 S592-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S592-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S592-0948
  • 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 S592-0948 available by request