S971-1277 Screening compound: 7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-7-azaspiro[3.5]nonan-1-ol

S971-1277 Screening compound: 7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-7-azaspiro[3.5]nonan-1-ol
S971-1277 Screening compound: 7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S971-1277
7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-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

S971-1277

Molecular Formula

C15H23N3O2 (C15 H23 N3 O2)

Compound Name

7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(1-ethyl-1H-pyrazole-4-carbonyl)-1-methyl-7-azaspiro[3.5]nonan-1-ol

SMILES

CCn1ncc(C(N(CC2)CCC2(CC2)C2(C)O)=O)c1

InChI

InChI=1S/C15H23N3O2/c1-3-18-11-12(10-16-18)13(19)17-8-6-15(7-9-17)5-4-14(15,2)20/h10-11,20H,3-9H2,1-2H3/t14-/m0/s1

InChI Key

BULPFFCUDTXTSP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.557

Distribution Coefficient, logD

0.557

Water Solubility, LogSw

-0.51

Polar Surface Area

46.965

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S971-1277 in Drug Discovery

Included in Screening Libraries

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

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S971-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S971-1277?
Check Price and Availability of S971-1277, 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 S971-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S971-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S971-1277
  • 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 S971-1277 available by request