SA45-0167 Screening compound: N,N,2-trimethyl-9-(2-phenoxyacetyl)-2,9-diazaspiro[5.5]undecane-1-carboxamide

SA45-0167 Screening compound: N,N,2-trimethyl-9-(2-phenoxyacetyl)-2,9-diazaspiro[5.5]undecane-1-carboxamide
SA45-0167 Screening compound: N,N,2-trimethyl-9-(2-phenoxyacetyl)-2,9-diazaspiro[5.5]undecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-0167
N,N,2-trimethyl-9-(2-phenoxyacetyl)-2,9-diazaspiro[5.5]undecane-1-carboxamide

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

SA45-0167

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

N,N,2-trimethyl-9-(2-phenoxyacetyl)-2,9-diazaspiro[5.5]undecane-1-carboxamide

IUPAC name

NN2-trimethyl-9-(2-phenoxyacetyl)-29-diazaspiro[5.5]undecane-1-carboxamide

SMILES

CN(C)C(C1N(C)CCCC1(CC1)CCN1C(COc1ccccc1)=O)=O

InChI

InChI=1S/C21H31N3O3/c1-22(2)20(26)19-21(10-7-13-23(19)3)11-14-24(15-12-21)18(25)16-27-17-8-5-4-6-9-17/h4-6,8-9,19H,7,10-16H2,1-3H3/t19-/m1/s1

InChI Key

SIOFBASXQOJWCQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32236656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.130

Distribution Coefficient, logD

-0.343

Water Solubility, LogSw

-1.11

Polar Surface Area

42.990

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA45-0167 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA45-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-0167?
Check Price and Availability of SA45-0167, 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 SA45-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-0167
  • 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 SA45-0167 available by request