SA67-0442 Screening compound: 5-cyclopropyl-3-{2-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole

SA67-0442 Screening compound: 5-cyclopropyl-3-{2-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole
SA67-0442 Screening compound: 5-cyclopropyl-3-{2-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0442
5-cyclopropyl-3-{2-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-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

SA67-0442

Molecular Formula

C15H18N4O2S (C15 H18 N4 O2 S)

Compound Name

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

IUPAC name

5-cyclopropyl-3-{2-[1-(13-thiazole-4-carbonyl)pyrrolidin-3-yl]ethyl}-124-oxadiazole

SMILES

O=C(c1cscn1)N1CC(CCc2noc(C3CC3)n2)CC1

InChI

InChI=1S/C15H18N4O2S/c20-15(12-8-22-9-16-12)19-6-5-10(7-19)1-4-13-17-14(21-18-13)11-2-3-11/h8-11H,1-7H2/t10-/m1/s1

InChI Key

DBQJUCGFEKFDRQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD32001176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

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

2.632

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-2.65

Polar Surface Area

59.734

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SA67-0442 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA67-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0442?
Check Price and Availability of SA67-0442, 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 SA67-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0442
  • 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 SA67-0442 available by request