R052-2725 Screening compound: 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde

R052-2725 Screening compound: 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
R052-2725 Screening compound: 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2725
3-(4-butoxyphenyl)-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

R052-2725

Molecular Formula

C14H16N2O2 (C14 H16 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-2-3-8-18-13-6-4-11(5-7-13)14-12(10-17)9-15-16-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)

InChI Key

DJGWVBUFVDQWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.05

Polar Surface Area

46.005

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

R052-2725 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 R052-2725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2725?
Check Price and Availability of R052-2725, 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 R052-2725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2725
  • 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 R052-2725 available by request