M598-0431 Screening compound: 2-chloro-N~3~-{[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}nicotinamide

M598-0431 Screening compound: 2-chloro-N~3~-{[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}nicotinamide
M598-0431 Screening compound: 2-chloro-N~3~-{[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M598-0431
2-chloro-N~3~-{[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}nicotinamide

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

M598-0431

Molecular Formula

C17H15ClN4O (C17 H15 ClN4 O)

Compound Name

2-chloro-N~3~-{[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}nicotinamide

IUPAC name

n/a

SMILES

Cc1cccc(-c2c(CNC(c3cccnc3Cl)=O)cn[nH]2)c1

InChI

InChI=1S/C17H15ClN4O/c1-11-4-2-5-12(8-11)15-13(10-21-22-15)9-20-17(23)14-6-3-7-19-16(14)18/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)

InChI Key

BCKJYKSFEPQYHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.63

Polar Surface Area

58.527

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

M598-0431 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M598-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M598-0431?
Check Price and Availability of M598-0431, 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 M598-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M598-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M598-0431
  • 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 M598-0431 available by request