CM4582-6173 Screening compound: {(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-4(2H)-pyridinyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (3-pyridyl) ether

CM4582-6173 Screening compound: {(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-4(2H)-pyridinyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (3-pyridyl) ether
CM4582-6173 Screening compound: {(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-4(2H)-pyridinyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (3-pyridyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4582-6173
{(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-4(2H)-pyridinyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (3-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

CM4582-6173

Molecular Formula

C21H28F2N4O2 (C21 H28 F2 N4 O2)

Compound Name

{(2S)-1-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]tetrahydro-4(2H)-pyridinyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl (3-pyridyl) ether

IUPAC name

n/a

SMILES

Cc1noc(C)c1CN(CC1)CCC1N(C1)[C@H](COc2cnccc2)CC1(F)F

InChI

InChI=1S/C21H28F2N4O2/c1-15-20(16(2)29-25-15)12-26-8-5-17(6-9-26)27-14-21(22,23)10-18(27)13-28-19-4-3-7-24-11-19/h3-4,7,11,17-18H,5-6,8-10,12-14H2,1-2H3/t18-/m1/s1

InChI Key

JRDPMRGIEOBOEE-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-2.41

Polar Surface Area

45.794

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

CM4582-6173 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4582-6173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4582-6173?
Check Price and Availability of CM4582-6173, 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 CM4582-6173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4582-6173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4582-6173
  • 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 CM4582-6173 available by request