M046-0247 Screening compound: ETHYL 1-[2-({1-[(4-FLUOROPHENYL)METHYL]-1H-PYRROLO[3,2-C]PYRIDIN-4-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXYLATE

M046-0247 Screening compound: ETHYL 1-[2-({1-[(4-FLUOROPHENYL)METHYL]-1H-PYRROLO[3,2-C]PYRIDIN-4-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXYLATE
M046-0247 Screening compound: ETHYL 1-[2-({1-[(4-FLUOROPHENYL)METHYL]-1H-PYRROLO[3,2-C]PYRIDIN-4-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-0247
ETHYL 1-[2-({1-[(4-FLUOROPHENYL)METHYL]-1H-PYRROLO[3,2-C]PYRIDIN-4-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXYLATE

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

M046-0247

Molecular Formula

C24H26FN3O3S (C24 H26 FN3 O3 S)

Compound Name

ETHYL 1-[2-({1-[(4-FLUOROPHENYL)METHYL]-1H-PYRROLO[3,2-C]PYRIDIN-4-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXYLATE

IUPAC name

ethyl 1-[2-({1-[(4-fluorophenyl)methyl]-1H-pyrrolo[32-c]pyridin-4-yl}sulfanyl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CSc1nccc2c1ccn2Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C24H26FN3O3S/c1-2-31-24(30)18-8-12-27(13-9-18)22(29)16-32-23-20-10-14-28(21(20)7-11-26-23)15-17-3-5-19(25)6-4-17/h3-7,10-11,14,18H,2,8-9,12-13,15-16H2,1H3

InChI Key

UUFONFFLXJKDTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.46

Polar Surface Area

48.131

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M046-0247 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M046-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-0247?
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What is the minimum amount of M046-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-0247
  • 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 M046-0247 available by request