M046-1346 Screening compound: N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

M046-1346 Screening compound: N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide
M046-1346 Screening compound: N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-1346
N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

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

M046-1346

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-({1-[(4-methoxyphenyl)methyl]-1H-pyrrolo[32-c]pyridin-4-yl}sulfanyl)acetamide

SMILES

COc1ccc(Cn(cc2)c3c2c(SCC(NCc2ccco2)=O)ncc3)cc1

InChI

InChI=1S/C22H21N3O3S/c1-27-17-6-4-16(5-7-17)14-25-11-9-19-20(25)8-10-23-22(19)29-15-21(26)24-13-18-3-2-12-28-18/h2-12H,13-15H2,1H3,(H,24,26)

InChI Key

PVQKPSZPLYINJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.99

Polar Surface Area

50.749

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M046-1346 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M046-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-1346?
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What is the minimum amount of M046-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-1346
  • 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 M046-1346 available by request