CM3900-6136 Screening compound: N-(butan-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

CM3900-6136 Screening compound: N-(butan-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide
CM3900-6136 Screening compound: N-(butan-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3900-6136
N-(butan-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-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

CM3900-6136

Molecular Formula

C24H37N3O (C24 H37 N3 O)

Compound Name

N-(butan-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

IUPAC name

N-(butan-2-yl)-9-(1234-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

SMILES

CCC(C)NC(N1CCC(CC2)(CCC2N(CC2)Cc3c2cccc3)CC1)=O

InChI

InChI=1S/C24H37N3O/c1-3-19(2)25-23(28)26-16-13-24(14-17-26)11-8-22(9-12-24)27-15-10-20-6-4-5-7-21(20)18-27/h4-7,19,22H,3,8-18H2,1-2H3,(H,25,28)/t19-/m0/s1

InChI Key

KCBKZXONUGUYLV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30465839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.78

Polar Surface Area

29.419

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.83

CM3900-6136 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM3900-6136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3900-6136?
Check Price and Availability of CM3900-6136, 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 CM3900-6136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3900-6136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3900-6136
  • 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 CM3900-6136 available by request