8017-0553 Screening compound: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide

8017-0553 Screening compound: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide
8017-0553 Screening compound: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0553
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

8017-0553

Molecular Formula

C14H14ClN3O3 (C14 H14 ClN3 O3)

Compound Name

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide

IUPAC name

4-chloro-N-(23-dihydro-14-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide

SMILES

CCn1nc(C(Nc(cc2)cc3c2OCCO3)=O)c(Cl)c1

InChI

InChI=1S/C14H14ClN3O3/c1-2-18-8-10(15)13(17-18)14(19)16-9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,19)

InChI Key

PTLAQTLSCWEFCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-2.75

Polar Surface Area

54.201

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8017-0553 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0553?
Check Price and Availability of 8017-0553, 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 8017-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0553
  • 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 8017-0553 available by request