SA40-0136 Screening compound: 2-benzyl-N,6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-2,6-diazaspiro[3.4]octane-7-carboxamide

SA40-0136 Screening compound: 2-benzyl-N,6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-2,6-diazaspiro[3.4]octane-7-carboxamide
SA40-0136 Screening compound: 2-benzyl-N,6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-2,6-diazaspiro[3.4]octane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA40-0136
2-benzyl-N,6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-2,6-diazaspiro[3.4]octane-7-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

SA40-0136

Molecular Formula

C23H30N4O (C23 H30 N4 O)

Compound Name

2-benzyl-N,6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-2,6-diazaspiro[3.4]octane-7-carboxamide

IUPAC name

2-benzyl-N6-dimethyl-N-[2-(pyridin-2-yl)ethyl]-26-diazaspiro[3.4]octane-7-carboxamide

SMILES

CN(CCc1ncccc1)C(C1N(C)CC2(CN(Cc3ccccc3)C2)C1)=O

InChI

InChI=1S/C23H30N4O/c1-25(13-11-20-10-6-7-12-24-20)22(28)21-14-23(16-26(21)2)17-27(18-23)15-19-8-4-3-5-9-19/h3-10,12,21H,11,13-18H2,1-2H3/t21-/m0/s1

InChI Key

BTLWHKMSIKNQAF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32236422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

-1.346

Water Solubility, LogSw

-1.82

Polar Surface Area

33.448

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SA40-0136 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)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA40-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA40-0136?
Check Price and Availability of SA40-0136, 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 SA40-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA40-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA40-0136
  • 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 SA40-0136 available by request