4611-0280 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

4611-0280 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4611-0280 Screening compound: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4611-0280
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)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

4611-0280

Molecular Formula

C11H10N2O3 (C11 H10 N2 O3)

Compound Name

3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

IUPAC name

3-(3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl)benzoic acid

SMILES

CC(CC1=O)=NN1c1cc(C(O)=O)ccc1

InChI

InChI=1S/C11H10N2O3/c1-7-5-10(14)13(12-7)9-4-2-3-8(6-9)11(15)16/h2-4,6H,5H2,1H3,(H,15,16)

InChI Key

ZAHMVJOIEBCBPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

-1.472

Water Solubility, LogSw

-1.82

Polar Surface Area

55.347

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4611-0280 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4611-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4611-0280?
Check Price and Availability of 4611-0280, 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 4611-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4611-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4611-0280
  • 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 4611-0280 available by request