M046-0650 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

M046-0650 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
M046-0650 Screening compound: 2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M046-0650
2-({1-benzyl-1H-pyrrolo[3,2-c]pyridin-4-yl}sulfanyl)-N-(4-methoxyphenyl)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

M046-0650

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CSc1nccc2c1ccn2Cc1ccccc1)=O

InChI

InChI=1S/C23H21N3O2S/c1-28-19-9-7-18(8-10-19)25-22(27)16-29-23-20-12-14-26(21(20)11-13-24-23)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,27)

InChI Key

IXYLDNWCGFJIAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.28

Polar Surface Area

41.678

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with M046-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M046-0650?
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What is the minimum amount of M046-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M046-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M046-0650
  • 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 M046-0650 available by request