CM4579-5700 Screening compound: {(2S)-4,4-difluoro-2-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-1-yl}[2-(4-methylpiperazino)-1,3-thiazol-4-yl]methanone

CM4579-5700 Screening compound: {(2S)-4,4-difluoro-2-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-1-yl}[2-(4-methylpiperazino)-1,3-thiazol-4-yl]methanone
CM4579-5700 Screening compound: {(2S)-4,4-difluoro-2-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-1-yl}[2-(4-methylpiperazino)-1,3-thiazol-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-5700
{(2S)-4,4-difluoro-2-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-1-yl}[2-(4-methylpiperazino)-1,3-thiazol-4-yl]methanone

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

CM4579-5700

Molecular Formula

C19H23F2N5O2S (C19 H23 F2 N5 O2 S)

Compound Name

{(2S)-4,4-difluoro-2-[(3-pyridyloxy)methyl]tetrahydro-1H-pyrrol-1-yl}[2-(4-methylpiperazino)-1,3-thiazol-4-yl]methanone

IUPAC name

1-{4-[(2S)-44-difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-carbonyl]-13-thiazol-2-yl}-4-methylpiperazine

SMILES

CN(CC1)CCN1c1nc(C(N(C2)[C@H](COc3cnccc3)CC2(F)F)=O)cs1

InChI

InChI=1S/C19H23F2N5O2S/c1-24-5-7-25(8-6-24)18-23-16(12-29-18)17(27)26-13-19(20,21)9-14(26)11-28-15-3-2-4-22-10-15/h2-4,10,12,14H,5-9,11,13H2,1H3/t14-/m0/s1

InChI Key

WWLMDOHHKCYQBA-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-2.18

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

CM4579-5700 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 CM4579-5700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-5700?
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What is the minimum amount of CM4579-5700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-5700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-5700
  • 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 CM4579-5700 available by request