6191-0624 Screening compound: 4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol

6191-0624 Screening compound: 4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol
6191-0624 Screening compound: 4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6191-0624
4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)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

6191-0624

Molecular Formula

C20H21ClN4O4 (C20 H21 ClN4 O4)

Compound Name

4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol

IUPAC name

4-{[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol

SMILES

CCOc1cc(C(c(c(C)n[nH]2)c2O)c(c(C)n[nH]2)c2O)cc(Cl)c1OCC#C

InChI

InChI=1S/C20H21ClN4O4/c1-5-7-29-18-13(21)8-12(9-14(18)28-6-2)17(15-10(3)22-24-19(15)26)16-11(4)23-25-20(16)27/h1,8-9,17H,6-7H2,2-4H3,(H2,22,24,26)(H2,23,25,27)

InChI Key

ACSDSZULKUQNKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-3.10

Polar Surface Area

95.094

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

6191-0624 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6191-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6191-0624?
Check Price and Availability of 6191-0624, 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 6191-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6191-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6191-0624
  • 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 6191-0624 available by request