F611-0774 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide

F611-0774 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide
F611-0774 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F611-0774
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-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

F611-0774

Molecular Formula

C28H21FN4O4 (C28 H21 FN4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-2H,3H,5H-pyrazolo[4,3-c]pyridine-7-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-2H3H5H-pyrazolo[43-c]pyridine-7-carboxamide

SMILES

O=C(C(C1=NN2c3ccccc3)=CN(Cc(cc3)ccc3F)C=C1C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H21FN4O4/c29-20-9-6-18(7-10-20)14-32-15-22(27(34)30-13-19-8-11-24-25(12-19)37-17-36-24)26-23(16-32)28(35)33(31-26)21-4-2-1-3-5-21/h1-12,15-16H,13-14,17H2,(H,30,34)

InChI Key

ZEQQMCHLPJDFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08926873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.32

Polar Surface Area

70.398

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

F611-0774 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 F611-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F611-0774?
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What is the minimum amount of F611-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F611-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F611-0774
  • 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 F611-0774 available by request