M436-0841 Screening compound: N-[(4-fluorophenyl)methyl]-2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamide

M436-0841 Screening compound: N-[(4-fluorophenyl)methyl]-2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamide
M436-0841 Screening compound: N-[(4-fluorophenyl)methyl]-2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M436-0841
N-[(4-fluorophenyl)methyl]-2-{8-methoxy-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-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

M436-0841

Molecular Formula

C20H17FN4O3 (C20 H17 FN4 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{8-methoxy-3-oxo-2H3H5H-pyrazolo[43-c]quinolin-2-yl}acetamide

SMILES

COc(cc1)cc(C2=NN3CC(NCc(cc4)ccc4F)=O)c1NC=C2C3=O

InChI

InChI=1S/C20H17FN4O3/c1-28-14-6-7-17-15(8-14)19-16(10-22-17)20(27)25(24-19)11-18(26)23-9-12-2-4-13(21)5-3-12/h2-8,10,22H,9,11H2,1H3,(H,23,26)

InChI Key

PMOCETHZPLCHDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

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

1.684

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-2.64

Polar Surface Area

70.314

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M436-0841 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M436-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M436-0841?
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What is the minimum amount of M436-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M436-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M436-0841
  • 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 M436-0841 available by request