S971-1058 Screening compound: 3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

S971-1058 Screening compound: 3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one
S971-1058 Screening compound: 3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-1058
3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-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

S971-1058

Molecular Formula

C16H27NO2 (C16 H27 NO2)

Compound Name

3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

IUPAC name

3-cyclopentyl-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}propan-1-one

SMILES

OC(CC1)C1(CC1)CCN1C(CCC1CCCC1)=O

InChI

InChI=1S/C16H27NO2/c18-14-7-8-16(14)9-11-17(12-10-16)15(19)6-5-13-3-1-2-4-13/h13-14,18H,1-12H2/t14-/m0/s1

InChI Key

JKJPLLBDKBUELX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32232067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-1.77

Polar Surface Area

32.785

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.75

S971-1058 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S971-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-1058?
Check Price and Availability of S971-1058, 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 S971-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-1058
  • 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 S971-1058 available by request