CM4582-6441 Screening compound: 3-({1-[1-(butane-1-sulfonyl)piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl}methoxy)pyridine

CM4582-6441 Screening compound: 3-({1-[1-(butane-1-sulfonyl)piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl}methoxy)pyridine
CM4582-6441 Screening compound: 3-({1-[1-(butane-1-sulfonyl)piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl}methoxy)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4582-6441
3-({1-[1-(butane-1-sulfonyl)piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl}methoxy)pyridine

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

CM4582-6441

Molecular Formula

C19H29F2N3O3S (C19 H29 F2 N3 O3 S)

Compound Name

3-({1-[1-(butane-1-sulfonyl)piperidin-4-yl]-4,4-difluoropyrrolidin-2-yl}methoxy)pyridine

IUPAC name

3-{[(2S)-1-[1-(butane-1-sulfonyl)piperidin-4-yl]-44-difluoropyrrolidin-2-yl]methoxy}pyridine

SMILES

CCCCS(N(CC1)CCC1N(C1)[C@H](COc2cnccc2)CC1(F)F)(=O)=O

InChI

InChI=1S/C19H29F2N3O3S/c1-2-3-11-28(25,26)23-9-6-16(7-10-23)24-15-19(20,21)12-17(24)14-27-18-5-4-8-22-13-18/h4-5,8,13,16-17H,2-3,6-7,9-12,14-15H2,1H3/t17-/m0/s1

InChI Key

DENNRUXJJRHVPP-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-2.95

Polar Surface Area

51.900

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

CM4582-6441 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4582-6441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4582-6441?
Check Price and Availability of CM4582-6441, 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 CM4582-6441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4582-6441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4582-6441
  • 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 CM4582-6441 available by request