CM4579-5784 Screening compound: 1-{4,4-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

CM4579-5784 Screening compound: 1-{4,4-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
CM4579-5784 Screening compound: 1-{4,4-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-5784
1-{4,4-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

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

CM4579-5784

Molecular Formula

C16H18F2N4O2 (C16 H18 F2 N4 O2)

Compound Name

1-{4,4-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl}-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1nn(CC(N(C2)[C@H](COc3cnccc3)CC2(F)F)=O)cc1

InChI

InChI=1S/C16H18F2N4O2/c1-12-4-6-21(20-12)9-15(23)22-11-16(17,18)7-13(22)10-24-14-3-2-5-19-8-14/h2-6,8,13H,7,9-11H2,1H3/t13-/m1/s1

InChI Key

WJKQTVBYQBCOJP-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.833

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-0.75

Polar Surface Area

47.517

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

CM4579-5784 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4579-5784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-5784?
Check Price and Availability of CM4579-5784, 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 CM4579-5784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-5784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-5784
  • 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 CM4579-5784 available by request