M052-0561 Screening compound: N~1~-[3-(methylsulfanyl)phenyl]-2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide

M052-0561 Screening compound: N~1~-[3-(methylsulfanyl)phenyl]-2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
M052-0561 Screening compound: N~1~-[3-(methylsulfanyl)phenyl]-2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M052-0561
N~1~-[3-(methylsulfanyl)phenyl]-2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)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

M052-0561

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

N~1~-[3-(methylsulfanyl)phenyl]-2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide

IUPAC name

n/a

SMILES

CSc1cc(NC(Cn(cc2)c(C=CN3)c2C3=O)=O)ccc1

InChI

InChI=1S/C16H15N3O2S/c1-22-12-4-2-3-11(9-12)18-15(20)10-19-8-6-13-14(19)5-7-17-16(13)21/h2-9H,10H2,1H3,(H,17,21)(H,18,20)

InChI Key

WNCZYNFLBPOPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-3.17

Polar Surface Area

50.365

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

M052-0561 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M052-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M052-0561?
Check Price and Availability of M052-0561, 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 M052-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M052-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M052-0561
  • 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 M052-0561 available by request