SA58-0513 Screening compound: 5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole

SA58-0513 Screening compound: 5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole
SA58-0513 Screening compound: 5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0513
5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole

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

SA58-0513

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole

IUPAC name

5-cyclopropyl-3-{2-[1-(oxane-4-carbonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazole

SMILES

O=C(C1CCOCC1)N1C(CCc2noc(C3CC3)n2)CCC1

InChI

InChI=1S/C17H25N3O3/c21-17(13-7-10-22-11-8-13)20-9-1-2-14(20)5-6-15-18-16(23-19-15)12-3-4-12/h12-14H,1-11H2/t14-/m1/s1

InChI Key

UXILLIUICCODPB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31998983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-2.08

Polar Surface Area

57.919

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

SA58-0513 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA58-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0513?
Check Price and Availability of SA58-0513, 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 SA58-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0513
  • 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 SA58-0513 available by request