CM3891-1306 Screening compound: 3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

CM3891-1306 Screening compound: 3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
CM3891-1306 Screening compound: 3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3891-1306
3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

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

CM3891-1306

Molecular Formula

C21H31FN2O3S (C21 H31 FN2 O3 S)

Compound Name

3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

IUPAC name

3-(4-fluorobenzenesulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol

SMILES

OC(CN1CCCC1)(CC1)CCC1(CC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H31FN2O3S/c22-18-3-5-19(6-4-18)28(26,27)24-15-11-20(12-16-24)7-9-21(25,10-8-20)17-23-13-1-2-14-23/h3-6,25H,1-2,7-17H2

InChI Key

DYQMWFYGASDDEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-2.54

Polar Surface Area

51.542

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

CM3891-1306 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
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 CM3891-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3891-1306?
Check Price and Availability of CM3891-1306, 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 CM3891-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3891-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3891-1306
  • 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 CM3891-1306 available by request