M056-0095 Screening compound: 2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

M056-0095 Screening compound: 2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
M056-0095 Screening compound: 2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M056-0095
2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

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

M056-0095

Molecular Formula

C25H24FN5OS (C25 H24 FN5 OS)

Compound Name

2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-pyrrolo[32-c]pyridin-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

O=C(Cn(cc1)c2c1c(SCc(cc1)ccc1F)ncc2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C25H24FN5OS/c26-20-6-4-19(5-7-20)18-33-25-21-9-12-31(22(21)8-11-28-25)17-24(32)30-15-13-29(14-16-30)23-3-1-2-10-27-23/h1-12H,13-18H2

InChI Key

ZUFDVYJJOZVFFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.57

Polar Surface Area

39.149

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

M056-0095 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M056-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M056-0095?
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What is the minimum amount of M056-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M056-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M056-0095
  • 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 M056-0095 available by request