SA46-0611 Screening compound: 2-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-0611 Screening compound: 2-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-0611 Screening compound: 2-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0611
2-(1-ethyl-1H-pyrazole-5-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

SA46-0611

Molecular Formula

C17H26N4O2 (C17 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1nccc1C(N(C1)CC1(C1)OCC1N1CCCCC1)=O

InChI

InChI=1S/C17H26N4O2/c1-2-21-15(6-7-18-21)16(22)20-12-17(13-20)10-14(11-23-17)19-8-4-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3/t14-/m1/s1

InChI Key

APOSBYCHTLNPDU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32236764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.855

Distribution Coefficient, logD

-0.003

Water Solubility, LogSw

-1.61

Polar Surface Area

40.733

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SA46-0611 in Drug Discovery

Included in Screening Libraries

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 SA46-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0611?
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What is the minimum amount of SA46-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0611
  • 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 SA46-0611 available by request