S613-1206 Screening compound: 1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one

S613-1206 Screening compound: 1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one
S613-1206 Screening compound: 1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-1206
1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one

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

S613-1206

Molecular Formula

C16H25N3O4 (C16 H25 N3 O4)

Compound Name

1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

1-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-124-oxadiazol-5-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

CC(N(CCC1)C1c1nc(CCOCC2CCOCC2)no1)=O

InChI

InChI=1S/C16H25N3O4/c1-12(20)19-7-2-3-14(19)16-17-15(18-23-16)6-10-22-11-13-4-8-21-9-5-13/h13-14H,2-11H2,1H3/t14-/m0/s1

InChI Key

SCFUIZUAPWKPJN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31987823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.994

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-0.99

Polar Surface Area

66.536

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S613-1206 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S613-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-1206?
Check Price and Availability of S613-1206, 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 S613-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-1206
  • 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 S613-1206 available by request