8011-6471 Screening compound: 2-(4H-pyrazole-3-amido)benzoic acid

8011-6471 Screening compound: 2-(4H-pyrazole-3-amido)benzoic acid
8011-6471 Screening compound: 2-(4H-pyrazole-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6471
2-(4H-pyrazole-3-amido)benzoic 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

8011-6471

Molecular Formula

C11H9N3O3 (C11 H9 N3 O3)

Compound Name

2-(4H-pyrazole-3-amido)benzoic acid

IUPAC name

2-(4H-pyrazole-3-amido)benzoic acid

SMILES

OC(c(cccc1)c1NC(C1=NN=CC1)=O)=O

InChI

InChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-4,6H,5H2,(H,13,15)(H,16,17)

InChI Key

ZMOZLLODXPTQNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

-2.826

Water Solubility, LogSw

-2.44

Polar Surface Area

73.008

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8011-6471 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8011-6471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6471?
Check Price and Availability of 8011-6471, 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 8011-6471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6471
  • 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 8011-6471 available by request