S558-0661 Screening compound: 3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole

S558-0661 Screening compound: 3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole
S558-0661 Screening compound: 3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S558-0661
3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-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

S558-0661

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole

IUPAC name

3-cyclopropyl-5-(2-{[1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxy}phenyl)-124-oxadiazole

SMILES

O=C(c1cscc1)N(CC1)CC1Oc(cccc1)c1-c1nc(C2CC2)no1

InChI

InChI=1S/C20H19N3O3S/c24-20(14-8-10-27-12-14)23-9-7-15(11-23)25-17-4-2-1-3-16(17)19-21-18(22-26-19)13-5-6-13/h1-4,8,10,12-13,15H,5-7,9,11H2/t15-/m1/s1

InChI Key

OUJVPUIJSZMWFS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30466732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

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

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.85

Polar Surface Area

56.482

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S558-0661 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S558-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S558-0661?
Check Price and Availability of S558-0661, 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 S558-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S558-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S558-0661
  • 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 S558-0661 available by request