S567-0163 Screening compound: 9-[(dimethylamino)methyl]-3-(thiophene-2-carbonyl)-3-azaspiro[5.5]undecan-9-ol

S567-0163 Screening compound: 9-[(dimethylamino)methyl]-3-(thiophene-2-carbonyl)-3-azaspiro[5.5]undecan-9-ol
S567-0163 Screening compound: 9-[(dimethylamino)methyl]-3-(thiophene-2-carbonyl)-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0163
9-[(dimethylamino)methyl]-3-(thiophene-2-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

S567-0163

Molecular Formula

C18H28N2O2S (C18 H28 N2 O2 S)

Compound Name

9-[(dimethylamino)methyl]-3-(thiophene-2-carbonyl)-3-azaspiro[5.5]undecan-9-ol

IUPAC name

9-[(dimethylamino)methyl]-3-(thiophene-2-carbonyl)-3-azaspiro[5.5]undecan-9-ol

SMILES

CN(C)CC(CC1)(CCC1(CC1)CCN1C(c1cccs1)=O)O

InChI

InChI=1S/C18H28N2O2S/c1-19(2)14-18(22)7-5-17(6-8-18)9-11-20(12-10-17)16(21)15-4-3-13-23-15/h3-4,13,22H,5-12,14H2,1-2H3

InChI Key

FAYRJRSYTDHVFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

0.345

Water Solubility, LogSw

-2.06

Polar Surface Area

37.286

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.22

S567-0163 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)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 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 S567-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0163?
Check Price and Availability of S567-0163, 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 S567-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0163
  • 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 S567-0163 available by request