S664-0135 Screening compound: 1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane

S664-0135 Screening compound: 1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane
S664-0135 Screening compound: 1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-0135
1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane

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

S664-0135

Molecular Formula

C14H21N3O2 (C14 H21 N3 O2)

Compound Name

1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane

IUPAC name

1-methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane

SMILES

Cn1ncc(C(N(CC2)CCC2(CC2)C2OC)=O)c1

InChI

InChI=1S/C14H21N3O2/c1-16-10-11(9-15-16)13(18)17-7-5-14(6-8-17)4-3-12(14)19-2/h9-10,12H,3-8H2,1-2H3/t12-/m0/s1

InChI Key

BJRKBXPPTVWFJZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30463170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.065

Distribution Coefficient, logD

-0.065

Water Solubility, LogSw

-0.03

Polar Surface Area

38.948

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S664-0135 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S664-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-0135?
Check Price and Availability of S664-0135, 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 S664-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-0135
  • 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 S664-0135 available by request