T818-0738 Screening compound: 4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

T818-0738 Screening compound: 4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane
T818-0738 Screening compound: 4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound T818-0738
4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

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

T818-0738

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

IUPAC name

4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

SMILES

C1NCC2(CCOCC2)C1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C15H18N4O2/c1-2-11(8-16-5-1)13-18-14(21-19-13)12-9-17-10-15(12)3-6-20-7-4-15/h1-2,5,8,12,17H,3-4,6-7,9-10H2/t12-/m1/s1

InChI Key

SQFWBAPXUFKWSO-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30463444

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.179

Distribution Coefficient, logD

-2.675

Water Solubility, LogSw

-1.02

Polar Surface Area

61.372

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

11.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

T818-0738 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T818-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T818-0738?
Check Price and Availability of T818-0738, 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 T818-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T818-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T818-0738
  • 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 T818-0738 available by request