S971-0422 Screening compound: 1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}-2-(thiophen-2-yl)ethan-1-one

S971-0422 Screening compound: 1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}-2-(thiophen-2-yl)ethan-1-one
S971-0422 Screening compound: 1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-0422
1-{1-hydroxy-1-propyl-7-azaspiro[3.5]nonan-7-yl}-2-(thiophen-2-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

S971-0422

Molecular Formula

C17H25NO2S (C17 H25 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(CC1)(C1(CC1)CCN1C(Cc1cccs1)=O)O

InChI

InChI=1S/C17H25NO2S/c1-2-5-17(20)7-6-16(17)8-10-18(11-9-16)15(19)13-14-4-3-12-21-14/h3-4,12,20H,2,5-11,13H2,1H3/t17-/m0/s1

InChI Key

WHIIEJWDBKUOOV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.46

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

2.668

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-2.55

Polar Surface Area

33.096

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S971-0422 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S971-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-0422?
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What is the minimum amount of S971-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-0422
  • 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 S971-0422 available by request