D717-0016 Screening compound: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid

D717-0016 Screening compound: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid
D717-0016 Screening compound: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0016
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid

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

D717-0016

Molecular Formula

C10H11N3O3 (C10 H11 N3 O3)

Compound Name

5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid

IUPAC name

n/a

SMILES

CCn1ncc(-c2cc(C(O)=O)no2)c1C

InChI

InChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)

InChI Key

ICZFVKOUEQVVPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04970282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

-4.289

Water Solubility, LogSw

-1.51

Polar Surface Area

64.107

Acid Dissociation Constant (pKa)

2.17

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D717-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D717-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0016?
Check Price and Availability of D717-0016, 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 D717-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0016
  • 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 D717-0016 available by request