S592-0936 Screening compound: 3-furyl{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}methanone

S592-0936 Screening compound: 3-furyl{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}methanone
S592-0936 Screening compound: 3-furyl{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S592-0936
3-furyl{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}methanone

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

S592-0936

Molecular Formula

C12H13N3O4 (C12 H13 N3 O4)

Compound Name

3-furyl{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}methanone

IUPAC name

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

SMILES

OCc1nc(C(CC2)CN2C(c2cocc2)=O)no1

InChI

InChI=1S/C12H13N3O4/c16-6-10-13-11(14-19-10)8-1-3-15(5-8)12(17)9-2-4-18-7-9/h2,4,7-8,16H,1,3,5-6H2/t8-/m1/s1

InChI Key

KWFIXVQOTHWWTJ-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD30463055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.398

Distribution Coefficient, logD

0.398

Water Solubility, LogSw

-1.31

Polar Surface Area

73.448

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

S592-0936 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

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

References: we are preparing a list of scientific research reports with S592-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S592-0936?
Check Price and Availability of S592-0936, 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 S592-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S592-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S592-0936
  • 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 S592-0936 available by request