S971-0421 Screening compound: 2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

S971-0421 Screening compound: 2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
S971-0421 Screening compound: 2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0421
2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-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

S971-0421

Molecular Formula

C19H26FNO2 (C19 H26 FNO2)

Compound Name

2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

IUPAC name

2-(3-fluorophenyl)-1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}ethan-1-one

SMILES

CCCC(CC1)(C1(CC1)CCN1C(Cc1cccc(F)c1)=O)O

InChI

InChI=1S/C19H26FNO2/c1-2-6-19(23)8-7-18(19)9-11-21(12-10-18)17(22)14-15-4-3-5-16(20)13-15/h3-5,13,23H,2,6-12,14H2,1H3/t19-/m0/s1

InChI Key

OQEADHQBTJZPFT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32231443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.24

Polar Surface Area

32.078

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S971-0421 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S971-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0421?
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What is the minimum amount of S971-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0421
  • 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 S971-0421 available by request