Y041-0569 Screening compound: 4-(4-chlorophenyl)-1-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperidin-4-ol

Y041-0569 Screening compound: 4-(4-chlorophenyl)-1-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperidin-4-ol
Y041-0569 Screening compound: 4-(4-chlorophenyl)-1-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0569
4-(4-chlorophenyl)-1-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperidin-4-ol

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

Y041-0569

Molecular Formula

C21H23ClN4O2 (C21 H23 ClN4 O2)

Compound Name

4-(4-chlorophenyl)-1-{1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperidin-4-ol

IUPAC name

4-(4-chlorophenyl)-1-{136-trimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl}piperidin-4-ol

SMILES

Cc1nn(C)c2nc(C)cc(C(N(CC3)CCC3(c(cc3)ccc3Cl)O)=O)c12

InChI

InChI=1S/C21H23ClN4O2/c1-13-12-17(18-14(2)24-25(3)19(18)23-13)20(27)26-10-8-21(28,9-11-26)15-4-6-16(22)7-5-15/h4-7,12,28H,8-11H2,1-3H3

InChI Key

VOZZBSQNKRGARI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18799692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.105

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-3.16

Polar Surface Area

55.344

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y041-0569 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0569?
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What is the minimum amount of Y041-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0569
  • 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 Y041-0569 available by request