4833-0042 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol

4833-0042 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol
4833-0042 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4833-0042
4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol

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

4833-0042

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol

IUPAC name

4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol

SMILES

Cc1n[nH]c(O)c1C(c(c(C)n[nH]1)c1O)c(cccc1)c1OC

InChI

InChI=1S/C16H18N4O3/c1-8-12(15(21)19-17-8)14(13-9(2)18-20-16(13)22)10-6-4-5-7-11(10)23-3/h4-7,14H,1-3H3,(H2,17,19,21)(H2,18,20,22)

InChI Key

GXXCKUUSSVMWIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.491

Distribution Coefficient, logD

1.269

Water Solubility, LogSw

-1.71

Polar Surface Area

87.923

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4833-0042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4833-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4833-0042?
Check Price and Availability of 4833-0042, 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 4833-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4833-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4833-0042
  • 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 4833-0042 available by request