P033-0539 Screening compound: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxamide

P033-0539 Screening compound: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxamide
P033-0539 Screening compound: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P033-0539
N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)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

P033-0539

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-6-(35-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxamide

SMILES

Cc1cc(C)nn1-c(cc1)ncc1C(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H17ClN4O/c1-12-9-13(2)23(22-12)17-8-5-15(11-20-17)18(24)21-10-14-3-6-16(19)7-4-14/h3-9,11H,10H2,1-2H3,(H,21,24)

InChI Key

XQSYJMPPIUUOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.56

Polar Surface Area

47.124

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P033-0539 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P033-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P033-0539?
Check Price and Availability of P033-0539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P033-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P033-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P033-0539
  • 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 P033-0539 available by request