F583-0575 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2,4-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

F583-0575 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2,4-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
F583-0575 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2,4-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F583-0575
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2,4-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-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

F583-0575

Molecular Formula

C22H20F2N4O5S (C22 H20 F2 N4 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2,4-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(24-difluorobenzenesulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carboxamide

SMILES

Cn1nc(C(NCc(cc2)cc3c2OCO3)=O)c(C2)c1CCN2S(c(ccc(F)c1)c1F)(=O)=O

InChI

InChI=1S/C22H20F2N4O5S/c1-27-17-6-7-28(34(30,31)20-5-3-14(23)9-16(20)24)11-15(17)21(26-27)22(29)25-10-13-2-4-18-19(8-13)33-12-32-18/h2-5,8-9H,6-7,10-12H2,1H3,(H,25,29)

InChI Key

FPAJURCTUKFHKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.171

Water Solubility, LogSw

-3.02

Polar Surface Area

88.158

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F583-0575 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F583-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F583-0575?
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What is the minimum amount of F583-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F583-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F583-0575
  • 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 F583-0575 available by request