R052-2700 Screening compound: 3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde

R052-2700 Screening compound: 3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
R052-2700 Screening compound: 3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2700
3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde

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

R052-2700

Molecular Formula

C12H12N2O (C12 H12 N2 O)

Compound Name

3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde

IUPAC name

3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde

SMILES

CCc(cc1)ccc1-c1n[nH]cc1C=O

InChI

InChI=1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)12-11(8-15)7-13-14-12/h3-8H,2H2,1H3,(H,13,14)

InChI Key

KCNFDRWUCRJSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-2.71

Polar Surface Area

38.588

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

R052-2700 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with R052-2700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2700?
Check Price and Availability of R052-2700, 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 R052-2700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2700
  • 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 R052-2700 available by request