F611-0682 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide

F611-0682 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide
F611-0682 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F611-0682
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide

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

F611-0682

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide

IUPAC name

N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-[(oxolan-2-yl)methyl]-2-phenyl-2H3H5H-pyrazolo[43-c]pyridine-7-carboxamide

SMILES

COc1ccc(CCNC(C(C2=NN3c4ccccc4)=CN(CC4OCCC4)C=C2C3=O)=O)cc1

InChI

InChI=1S/C27H28N4O4/c1-34-21-11-9-19(10-12-21)13-14-28-26(32)23-17-30(16-22-8-5-15-35-22)18-24-25(23)29-31(27(24)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,17-18,22H,5,8,13-16H2,1H3,(H,28,32)/t22-/m1/s1

InChI Key

NOHVDYIREUXPHO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD08538254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.15

Polar Surface Area

69.322

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

F611-0682 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 F611-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F611-0682?
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What is the minimum amount of F611-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F611-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F611-0682
  • 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 F611-0682 available by request