S567-0063 Screening compound: 9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-ol

S567-0063 Screening compound: 9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-ol
S567-0063 Screening compound: 9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0063
9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-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

S567-0063

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-ol

IUPAC name

9-[(dimethylamino)methyl]-3-(1-ethyl-1H-pyrazole-3-carbonyl)-3-azaspiro[5.5]undecan-9-ol

SMILES

CCn(cc1)nc1C(N1CCC(CC2)(CCC2(CN(C)C)O)CC1)=O

InChI

InChI=1S/C19H32N4O2/c1-4-23-12-5-16(20-23)17(24)22-13-10-18(11-14-22)6-8-19(25,9-7-18)15-21(2)3/h5,12,25H,4,6-11,13-15H2,1-3H3

InChI Key

OPSRMTWHFIWRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.382

Distribution Coefficient, logD

-0.857

Water Solubility, LogSw

-1.28

Polar Surface Area

50.653

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.95

S567-0063 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S567-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0063?
Check Price and Availability of S567-0063, 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 S567-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0063
  • 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 S567-0063 available by request