V028-6281 Screening compound: N-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]isonicotinamide

V028-6281 Screening compound: N-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]isonicotinamide
V028-6281 Screening compound: N-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6281
N-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]isonicotinamide

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

V028-6281

Molecular Formula

C17H16N4O2 (C17 H16 N4 O2)

Compound Name

N-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]isonicotinamide

IUPAC name

n/a

SMILES

Cc1cc(NC(c2ccncc2)=O)nn1-c(cc1)ccc1OC

InChI

InChI=1S/C17H16N4O2/c1-12-11-16(19-17(22)13-7-9-18-10-8-13)20-21(12)14-3-5-15(23-2)6-4-14/h3-11H,1-2H3,(H,19,20,22)

InChI Key

DDYWYGKFRWMYTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19969250

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.67

Polar Surface Area

54.934

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

V028-6281 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V028-6281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6281?
Check Price and Availability of V028-6281, 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 V028-6281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6281
  • 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 V028-6281 available by request