8019-4713 Screening compound: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

8019-4713 Screening compound: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
8019-4713 Screening compound: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4713
3-(2-chlorophenyl)-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

8019-4713

Molecular Formula

C10H7ClN2O2 (C10 H7 ClN2 O2)

Compound Name

3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

IUPAC name

3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

SMILES

OC(c1cc(-c(cccc2)c2Cl)n[nH]1)=O

InChI

InChI=1S/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)

InChI Key

YECLPKDINYXXNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04327495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

-3.028

Water Solubility, LogSw

-3.12

Polar Surface Area

51.136

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8019-4713 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Human Phosphatases Annotated Library (206 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-4713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4713?
Check Price and Availability of 8019-4713, 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 8019-4713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4713
  • 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 8019-4713 available by request