S971-0452 Screening compound: 7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

S971-0452 Screening compound: 7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol
S971-0452 Screening compound: 7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0452
7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

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

S971-0452

Molecular Formula

C18H26N2O2 (C18 H26 N2 O2)

Compound Name

7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(3-methylpyridine-2-carbonyl)-1-propyl-7-azaspiro[3.5]nonan-1-ol

SMILES

CCCC(CC1)(C1(CC1)CCN1C(c1ncccc1C)=O)O

InChI

InChI=1S/C18H26N2O2/c1-3-6-18(22)8-7-17(18)9-12-20(13-10-17)16(21)15-14(2)5-4-11-19-15/h4-5,11,22H,3,6-10,12-13H2,1-2H3/t18-/m0/s1

InChI Key

HBHNKWMPUDESGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32231574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-2.08

Polar Surface Area

42.423

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S971-0452 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S971-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0452?
Check Price and Availability of S971-0452, 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 S971-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0452
  • 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 S971-0452 available by request