M508-0453 Screening compound: 2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

M508-0453 Screening compound: 2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
M508-0453 Screening compound: 2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M508-0453
2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}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

M508-0453

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

IUPAC name

2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

Cn1c(nccc2)c2c(CC(NCc(cc2)ccc2SC)=O)c1

InChI

InChI=1S/C18H19N3OS/c1-21-12-14(16-4-3-9-19-18(16)21)10-17(22)20-11-13-5-7-15(23-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,22)

InChI Key

PTGPJAMJCCKOQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-2.76

Polar Surface Area

36.905

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M508-0453 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M508-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M508-0453?
Check Price and Availability of M508-0453, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M508-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M508-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M508-0453
  • 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 M508-0453 available by request