8014-1798 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

8014-1798 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
8014-1798 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1798
N-(2-cyano-4,5-diethoxyphenyl)-1-methyl-1H-pyrazole-5-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

8014-1798

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

N-(2-cyano-4,5-diethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

N-(2-cyano-45-diethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

SMILES

CCOc(c(OCC)c1)cc(C#N)c1NC(c1ccnn1C)=O

InChI

InChI=1S/C16H18N4O3/c1-4-22-14-8-11(10-17)12(9-15(14)23-5-2)19-16(21)13-6-7-18-20(13)3/h6-9H,4-5H2,1-3H3,(H,19,21)

InChI Key

FLXSBWWBHUNJLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.977

Distribution Coefficient, logD

0.503

Water Solubility, LogSw

-2.36

Polar Surface Area

67.759

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8014-1798 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8014-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1798?
Check Price and Availability of 8014-1798, 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 8014-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1798
  • 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 8014-1798 available by request