SA46-0581 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-0581 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-0581 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0581
2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

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

SA46-0581

Molecular Formula

C17H25N3O2 (C17 H25 N3 O2)

Compound Name

2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

Cn1c(C(N(C2)CC2(C2)OCC2N2CCCCC2)=O)ccc1

InChI

InChI=1S/C17H25N3O2/c1-18-7-5-6-15(18)16(21)20-12-17(13-20)10-14(11-22-17)19-8-3-2-4-9-19/h5-7,14H,2-4,8-13H2,1H3/t14-/m1/s1

InChI Key

VXSLZHMQBCETCM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32236582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.38

Polar Surface Area

30.061

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SA46-0581 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA46-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0581?
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What is the minimum amount of SA46-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0581
  • 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 SA46-0581 available by request