CM4579-5105 Screening compound: {(2S)-4,4-DIFLUORO-1-[(1-METHYL-1H-INDOL-3-YL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}METHYL (4-PYRIDYL) ETHER

CM4579-5105 Screening compound: {(2S)-4,4-DIFLUORO-1-[(1-METHYL-1H-INDOL-3-YL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}METHYL (4-PYRIDYL) ETHER
CM4579-5105 Screening compound: {(2S)-4,4-DIFLUORO-1-[(1-METHYL-1H-INDOL-3-YL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}METHYL (4-PYRIDYL) ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-5105
{(2S)-4,4-DIFLUORO-1-[(1-METHYL-1H-INDOL-3-YL)METHYL]TETRAHYDRO-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

CM4579-5105

Molecular Formula

C20H21F2N3O (C20 H21 F2 N3 O)

Compound Name

{(2S)-4,4-DIFLUORO-1-[(1-METHYL-1H-INDOL-3-YL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}METHYL (4-PYRIDYL) ETHER

IUPAC name

3-{[(2S)-44-difluoro-2-[(pyridin-4-yloxy)methyl]pyrrolidin-1-yl]methyl}-1-methyl-1H-indole

SMILES

Cn1c(cccc2)c2c(CN(C2)[C@H](COc3ccncc3)CC2(F)F)c1

InChI

InChI=1S/C20H21F2N3O/c1-24-11-15(18-4-2-3-5-19(18)24)12-25-14-20(21,22)10-16(25)13-26-17-6-8-23-9-7-17/h2-9,11,16H,10,12-14H2,1H3/t16-/m1/s1

InChI Key

QQSUNOVKIFDBFH-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-2.80

Polar Surface Area

23.298

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

CM4579-5105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 CM4579-5105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-5105?
Check Price and Availability of CM4579-5105, 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 CM4579-5105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-5105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-5105
  • 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 CM4579-5105 available by request