M436-0854 Screening compound: 2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide

M436-0854 Screening compound: 2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide
M436-0854 Screening compound: 2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M436-0854
2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}-N-[(thiophen-2-yl)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

M436-0854

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{8-methoxy-3-oxo-2H3H5H-pyrazolo[43-c]quinolin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

COc(cc1)cc(C2=NN3CC(NCc4cccs4)=O)c1NC=C2C3=O

InChI

InChI=1S/C18H16N4O3S/c1-25-11-4-5-15-13(7-11)17-14(9-19-15)18(24)22(21-17)10-16(23)20-8-12-3-2-6-26-12/h2-7,9,19H,8,10H2,1H3,(H,20,23)

InChI Key

YSZDYNQECUFNFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

1.628

Water Solubility, LogSw

-2.72

Polar Surface Area

71.333

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M436-0854 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 M436-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M436-0854?
Check Price and Availability of M436-0854, 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 M436-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M436-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M436-0854
  • 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 M436-0854 available by request