CM4579-4985 Screening compound: {(2S)-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (4-pyridyl) ether

CM4579-4985 Screening compound: {(2S)-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (4-pyridyl) ether
CM4579-4985 Screening compound: {(2S)-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (4-pyridyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-4985
{(2S)-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (4-pyridyl) ether

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

CM4579-4985

Molecular Formula

C16H20F2N4O (C16 H20 F2 N4 O)

Compound Name

{(2S)-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (4-pyridyl) ether

IUPAC name

n/a

SMILES

Cc1c(CN(C2)[C@H](COc3ccncc3)CC2(F)F)cnn1C

InChI

InChI=1S/C16H20F2N4O/c1-12-13(8-20-21(12)2)9-22-11-16(17,18)7-14(22)10-23-15-3-5-19-6-4-15/h3-6,8,14H,7,9-11H2,1-2H3/t14-/m1/s1

InChI Key

CSVRTJGDKNGLKL-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.149

Distribution Coefficient, logD

0.342

Water Solubility, LogSw

-1.24

Polar Surface Area

35.225

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with CM4579-4985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-4985?
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What is the minimum amount of CM4579-4985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-4985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-4985
  • 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 CM4579-4985 available by request