CM4579-4354 Screening compound: 4-{2-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4,4-difluoropyrrolidine-1-carbonyl}-1-ethyl-5-methyl-1H-pyrazole

CM4579-4354 Screening compound: 4-{2-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4,4-difluoropyrrolidine-1-carbonyl}-1-ethyl-5-methyl-1H-pyrazole
CM4579-4354 Screening compound: 4-{2-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4,4-difluoropyrrolidine-1-carbonyl}-1-ethyl-5-methyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-4354
4-{2-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4,4-difluoropyrrolidine-1-carbonyl}-1-ethyl-5-methyl-1H-pyrazole

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

CM4579-4354

Molecular Formula

C21H25F2N3O2 (C21 H25 F2 N3 O2)

Compound Name

4-{2-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4,4-difluoropyrrolidine-1-carbonyl}-1-ethyl-5-methyl-1H-pyrazole

IUPAC name

4-[(2S)-2-[(23-dihydro-1H-inden-5-yloxy)methyl]-44-difluoropyrrolidine-1-carbonyl]-1-ethyl-5-methyl-1H-pyrazole

SMILES

CCn1ncc(C(N(C2)[C@H](COc3cc(CCC4)c4cc3)CC2(F)F)=O)c1C

InChI

InChI=1S/C21H25F2N3O2/c1-3-26-14(2)19(11-24-26)20(27)25-13-21(22,23)10-17(25)12-28-18-8-7-15-5-4-6-16(15)9-18/h7-9,11,17H,3-6,10,12-13H2,1-2H3/t17-/m1/s1

InChI Key

VALPDQNJHLXAPN-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.87

Polar Surface Area

38.272

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

CM4579-4354 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM4579-4354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-4354?
Check Price and Availability of CM4579-4354, 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 CM4579-4354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-4354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-4354
  • 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 CM4579-4354 available by request