CM4579-5472 Screening compound: {(2S)-4,4-DIFLUORO-2-[(4-PYRIDYLOXY)METHYL]TETRAHYDRO-1H-PYRROL-1-YL}(2,4-DIMETHYL-1,3-THIAZOL-5-YL)METHANONE

CM4579-5472 Screening compound: {(2S)-4,4-DIFLUORO-2-[(4-PYRIDYLOXY)METHYL]TETRAHYDRO-1H-PYRROL-1-YL}(2,4-DIMETHYL-1,3-THIAZOL-5-YL)METHANONE
CM4579-5472 Screening compound: {(2S)-4,4-DIFLUORO-2-[(4-PYRIDYLOXY)METHYL]TETRAHYDRO-1H-PYRROL-1-YL}(2,4-DIMETHYL-1,3-THIAZOL-5-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4579-5472
{(2S)-4,4-DIFLUORO-2-[(4-PYRIDYLOXY)METHYL]TETRAHYDRO-1H-PYRROL-1-YL}(2,4-DIMETHYL-1,3-THIAZOL-5-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

CM4579-5472

Molecular Formula

C16H17F2N3O2S (C16 H17 F2 N3 O2 S)

Compound Name

{(2S)-4,4-DIFLUORO-2-[(4-PYRIDYLOXY)METHYL]TETRAHYDRO-1H-PYRROL-1-YL}(2,4-DIMETHYL-1,3-THIAZOL-5-YL)METHANONE

IUPAC name

4-{[(2S)-1-(24-dimethyl-13-thiazole-5-carbonyl)-44-difluoropyrrolidin-2-yl]methoxy}pyridine

SMILES

Cc1c(C(N(C2)[C@H](COc3ccncc3)CC2(F)F)=O)sc(C)n1

InChI

InChI=1S/C16H17F2N3O2S/c1-10-14(24-11(2)20-10)15(22)21-9-16(17,18)7-12(21)8-23-13-3-5-19-6-4-13/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1

InChI Key

HNXKPPJXRFZHIX-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.44

Polar Surface Area

43.877

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

CM4579-5472 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 CM4579-5472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4579-5472?
Check Price and Availability of CM4579-5472, 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 CM4579-5472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4579-5472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4579-5472
  • 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 CM4579-5472 available by request