Y041-0998 Screening compound: 5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-carboxylic acid

Y041-0998 Screening compound: 5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-carboxylic acid
Y041-0998 Screening compound: 5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0998
5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-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

Y041-0998

Molecular Formula

C10H7ClFN3O2 (C10 H7 ClFN3 O2)

Compound Name

5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-carboxylic acid

IUPAC name

5-amino-1-(2-chloro-5-fluorophenyl)-1H-pyrazole-4-carboxylic acid

SMILES

Nc(n(-c(cc(cc1)F)c1Cl)nc1)c1C(O)=O

InChI

InChI=1S/C10H7ClFN3O2/c11-7-2-1-5(12)3-8(7)15-9(13)6(4-14-15)10(16)17/h1-4H,13H2,(H,16,17)

InChI Key

BAVCTQYCESDIDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17430370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

-3.150

Water Solubility, LogSw

-2.89

Polar Surface Area

61.662

Acid Dissociation Constant (pKa)

2.11

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y041-0998 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0998?
Check Price and Availability of Y041-0998, 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 Y041-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0998
  • 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 Y041-0998 available by request