6191-0628 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-hydroxy-5-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol

6191-0628 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-hydroxy-5-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol
6191-0628 Screening compound: 4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-hydroxy-5-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6191-0628
4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-hydroxy-5-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

6191-0628

Molecular Formula

C16H18N4O4 (C16 H18 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c(O)c1C(c(c(C)n[nH]1)c1O)c(cc(cc1)OC)c1O

InChI

InChI=1S/C16H18N4O4/c1-7-12(15(22)19-17-7)14(13-8(2)18-20-16(13)23)10-6-9(24-3)4-5-11(10)21/h4-6,14,21H,1-3H3,(H2,17,19,22)(H2,18,20,23)

InChI Key

YOLPQFZZXISODE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.260

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-1.71

Polar Surface Area

104.384

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6191-0628 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6191-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6191-0628?
Check Price and Availability of 6191-0628, 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 6191-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6191-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6191-0628
  • 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 6191-0628 available by request