R052-2720 Screening compound: 3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid

R052-2720 Screening compound: 3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
R052-2720 Screening compound: 3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2720
3-(4-bromophenyl)-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

R052-2720

Molecular Formula

C10H7BrN2O2 (C10 H7 BrN2 O2)

Compound Name

3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid

IUPAC name

3-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid

SMILES

OC(c1c[nH]nc1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)

InChI Key

CDRHLGAXQKDZDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.08

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

2.738

Distribution Coefficient, logD

-0.877

Water Solubility, LogSw

-3.20

Polar Surface Area

52.837

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R052-2720 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-2720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2720?
Check Price and Availability of R052-2720, 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 R052-2720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2720
  • 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 R052-2720 available by request