M046-1341 Screening compound: ethyl 1-(2-{[1-(4-methoxybenzyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]sulfanyl}acetyl)-4-piperidinecarboxylate

M046-1341 Screening compound: ethyl 1-(2-{[1-(4-methoxybenzyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]sulfanyl}acetyl)-4-piperidinecarboxylate
M046-1341 Screening compound: ethyl 1-(2-{[1-(4-methoxybenzyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]sulfanyl}acetyl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-1341
ethyl 1-(2-{[1-(4-methoxybenzyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]sulfanyl}acetyl)-4-piperidinecarboxylate

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

M046-1341

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

ethyl 1-(2-{[1-(4-methoxybenzyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]sulfanyl}acetyl)-4-piperidinecarboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CSc1nccc2c1ccn2Cc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H29N3O4S/c1-3-32-25(30)19-9-13-27(14-10-19)23(29)17-33-24-21-11-15-28(22(21)8-12-26-24)16-18-4-6-20(31-2)7-5-18/h4-8,11-12,15,19H,3,9-10,13-14,16-17H2,1-2H3

InChI Key

BVOYIBAAYROBBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.42

Polar Surface Area

55.675

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M046-1341 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M046-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-1341?
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What is the minimum amount of M046-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-1341
  • 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 M046-1341 available by request