S613-0003 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole

S613-0003 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole
S613-0003 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-0003
3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-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

S613-0003

Molecular Formula

C12H19N3O2 (C12 H19 N3 O2)

Compound Name

3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole

IUPAC name

3-[2-(cyclopropylmethoxy)ethyl]-5-(pyrrolidin-2-yl)-124-oxadiazole

SMILES

C(COCC1CC1)c1noc(C2NCCC2)n1

InChI

InChI=1S/C12H19N3O2/c1-2-10(13-6-1)12-14-11(15-17-12)5-7-16-8-9-3-4-9/h9-10,13H,1-8H2/t10-/m0/s1

InChI Key

QKOJBRQOLXOOHX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28897741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.096

Distribution Coefficient, logD

-1.757

Water Solubility, LogSw

-0.52

Polar Surface Area

54.181

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.30

S613-0003 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S613-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-0003?
Check Price and Availability of S613-0003, 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 S613-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-0003
  • 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 S613-0003 available by request