CM3891-5018 Screening compound: 9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-N,N-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide

CM3891-5018 Screening compound: 9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-N,N-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide
CM3891-5018 Screening compound: 9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-N,N-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3891-5018
9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-N,N-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide

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

CM3891-5018

Molecular Formula

C21H33N3O3S (C21 H33 N3 O3 S)

Compound Name

9-[(2,3-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-N,N-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide

IUPAC name

9-[(23-dihydro-1H-indol-1-yl)methyl]-9-hydroxy-NN-dimethyl-3-azaspiro[5.5]undecane-3-sulfonamide

SMILES

CN(C)S(N1CCC(CC2)(CCC2(CN(CC2)c3c2cccc3)O)CC1)(=O)=O

InChI

InChI=1S/C21H33N3O3S/c1-22(2)28(26,27)24-15-12-20(13-16-24)8-10-21(25,11-9-20)17-23-14-7-18-5-3-4-6-19(18)23/h3-6,25H,7-17H2,1-2H3

InChI Key

NMDFQYZNCPJTCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.30

Polar Surface Area

54.730

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

CM3891-5018 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM3891-5018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3891-5018?
Check Price and Availability of CM3891-5018, 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 CM3891-5018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3891-5018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3891-5018
  • 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 CM3891-5018 available by request