S567-0213 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methyl-1,3-oxazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-ol

S567-0213 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methyl-1,3-oxazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-ol
S567-0213 Screening compound: 9-[(dimethylamino)methyl]-3-(4-methyl-1,3-oxazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0213
9-[(dimethylamino)methyl]-3-(4-methyl-1,3-oxazole-5-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

S567-0213

Molecular Formula

C18H29N3O3 (C18 H29 N3 O3)

Compound Name

9-[(dimethylamino)methyl]-3-(4-methyl-1,3-oxazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-ol

IUPAC name

9-[(dimethylamino)methyl]-3-(4-methyl-13-oxazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-ol

SMILES

Cc1c(C(N2CCC(CC3)(CCC3(CN(C)C)O)CC2)=O)ocn1

InChI

InChI=1S/C18H29N3O3/c1-14-15(24-13-19-14)16(22)21-10-8-17(9-11-21)4-6-18(23,7-5-17)12-20(2)3/h13,23H,4-12H2,1-3H3

InChI Key

FWSMYKHOHRCMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.268

Distribution Coefficient, logD

-0.970

Water Solubility, LogSw

-0.69

Polar Surface Area

55.182

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

S567-0213 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S567-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0213?
Check Price and Availability of S567-0213, 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 S567-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0213
  • 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 S567-0213 available by request