8017-0558 Screening compound: N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide

8017-0558 Screening compound: N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide
8017-0558 Screening compound: N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0558
N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-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

8017-0558

Molecular Formula

C13H13ClN4O2 (C13 H13 ClN4 O2)

Compound Name

N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide

IUPAC name

N-(2-carbamoylphenyl)-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide

SMILES

CCn1nc(C(Nc(cccc2)c2C(N)=O)=O)c(Cl)c1

InChI

InChI=1S/C13H13ClN4O2/c1-2-18-7-9(14)11(17-18)13(20)16-10-6-4-3-5-8(10)12(15)19/h3-7H,2H2,1H3,(H2,15,19)(H,16,20)

InChI Key

QHNNKLXMCBZVHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.260

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-2.90

Polar Surface Area

71.739

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8017-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0558?
Check Price and Availability of 8017-0558, 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 8017-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0558
  • 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 8017-0558 available by request