M046-1351 Screening compound: 2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

M046-1351 Screening compound: 2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
M046-1351 Screening compound: 2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-1351
2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-1-(4-phenylpiperazin-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

M046-1351

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn(cc2)c3c2c(SCC(N(CC2)CCN2c2ccccc2)=O)ncc3)cc1

InChI

InChI=1S/C27H28N4O2S/c1-33-23-9-7-21(8-10-23)19-31-14-12-24-25(31)11-13-28-27(24)34-20-26(32)30-17-15-29(16-18-30)22-5-3-2-4-6-22/h2-14H,15-20H2,1H3

InChI Key

YMCLHJGVISNFHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.199

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.16

Polar Surface Area

38.182

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

M046-1351 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M046-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-1351?
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What is the minimum amount of M046-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-1351
  • 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 M046-1351 available by request