SA45-0156 Screening compound: N9-benzyl-N1,N1,2-trimethyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

SA45-0156 Screening compound: N9-benzyl-N1,N1,2-trimethyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide
SA45-0156 Screening compound: N9-benzyl-N1,N1,2-trimethyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-0156
N9-benzyl-N1,N1,2-trimethyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

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

SA45-0156

Molecular Formula

C21H32N4O2 (C21 H32 N4 O2)

Compound Name

N9-benzyl-N1,N1,2-trimethyl-2,9-diazaspiro[5.5]undecane-1,9-dicarboxamide

IUPAC name

N9-benzyl-N1N12-trimethyl-29-diazaspiro[5.5]undecane-19-dicarboxamide

SMILES

CN(C)C(C1N(C)CCCC1(CC1)CCN1C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C21H32N4O2/c1-23(2)19(26)18-21(10-7-13-24(18)3)11-14-25(15-12-21)20(27)22-16-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3,(H,22,27)/t18-/m1/s1

InChI Key

JNQOMPIACHSRFI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.366

Distribution Coefficient, logD

-0.108

Water Solubility, LogSw

-1.64

Polar Surface Area

46.161

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA45-0156 in Drug Discovery

Included in Screening Libraries

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

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

CNS BBB Library (22607 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • 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 SA45-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-0156?
Check Price and Availability of SA45-0156, 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 SA45-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-0156
  • 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 SA45-0156 available by request