8020-2041 Screening compound: 4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1,3-benzenediol

8020-2041 Screening compound: 4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1,3-benzenediol
8020-2041 Screening compound: 4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1,3-benzenediol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2041
4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1,3-benzenediol

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

8020-2041

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1,3-benzenediol

IUPAC name

4-[4-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzene-13-diol

SMILES

COc(cccc1)c1-c1c[nH]nc1-c(ccc(O)c1)c1O

InChI

InChI=1S/C16H14N2O3/c1-21-15-5-3-2-4-11(15)13-9-17-18-16(13)12-7-6-10(19)8-14(12)20/h2-9,19-20H,1H3,(H,17,18)

InChI Key

ATQCYWIMQARXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04181953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.25

Polar Surface Area

65.952

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8020-2041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2041?
Check Price and Availability of 8020-2041, 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 8020-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2041
  • 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 8020-2041 available by request