8017-8066 Screening compound: 4-(5-isoxazolyl)-1-methyl-1H-pyrazole-5-carboxylic acid

8017-8066 Screening compound: 4-(5-isoxazolyl)-1-methyl-1H-pyrazole-5-carboxylic acid
8017-8066 Screening compound: 4-(5-isoxazolyl)-1-methyl-1H-pyrazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8066
4-(5-isoxazolyl)-1-methyl-1H-pyrazole-5-carboxylic 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

8017-8066

Molecular Formula

C8H7N3O3 (C8 H7 N3 O3)

Compound Name

4-(5-isoxazolyl)-1-methyl-1H-pyrazole-5-carboxylic acid

IUPAC name

1-methyl-4-(12-oxazol-5-yl)-1H-pyrazole-5-carboxylic acid

SMILES

Cn1ncc(-c2ccno2)c1C(O)=O

InChI

InChI=1S/C8H7N3O3/c1-11-7(8(12)13)5(4-9-11)6-2-3-10-14-6/h2-4H,1H3,(H,12,13)

InChI Key

IPKLNHHOWOKQKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04971126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

193.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.411

Distribution Coefficient, logD

-4.683

Water Solubility, LogSw

-1.77

Polar Surface Area

64.031

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-8066 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-8066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8066?
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What is the minimum amount of 8017-8066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8066
  • 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 8017-8066 available by request