L573-0798 Screening compound: ethyl 4-[1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-amido]piperidine-1-carboxylate

L573-0798 Screening compound: ethyl 4-[1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-amido]piperidine-1-carboxylate
L573-0798 Screening compound: ethyl 4-[1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L573-0798
ethyl 4-[1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-amido]piperidine-1-carboxylate

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

L573-0798

Molecular Formula

C23H26FN5O4 (C23 H26 FN5 O4)

Compound Name

ethyl 4-[1-(4-fluorophenyl)-3,7-dimethyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[1-(4-fluorophenyl)-37-dimethyl-4-oxo-1H4H7H-pyrazolo[34-b]pyridine-5-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C1=CN(C)c(n(-c(cc2)ccc2F)nc2C)c2C1=O)=O)=O

InChI

InChI=1S/C23H26FN5O4/c1-4-33-23(32)28-11-9-16(10-12-28)25-21(31)18-13-27(3)22-19(20(18)30)14(2)26-29(22)17-7-5-15(24)6-8-17/h5-8,13,16H,4,9-12H2,1-3H3,(H,25,31)

InChI Key

OPDNWKNFGKHTDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.65

Polar Surface Area

76.892

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L573-0798 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L573-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L573-0798?
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What is the minimum amount of L573-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L573-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L573-0798
  • 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 L573-0798 available by request