Y206-6534 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-1-butanone

Y206-6534 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-1-butanone
Y206-6534 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-6534
1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-1-butanone

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

Y206-6534

Molecular Formula

C15H18N2O (C15 H18 N2 O)

Compound Name

1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenyl-1-butanone

IUPAC name

1-(35-dimethyl-1H-pyrazol-1-yl)-4-phenylbutan-1-one

SMILES

Cc1cc(C)nn1C(CCCc1ccccc1)=O

InChI

InChI=1S/C15H18N2O/c1-12-11-13(2)17(16-12)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3

InChI Key

VUNJYHXXLNMBTO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-2.78

Polar Surface Area

26.778

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y206-6534 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y206-6534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-6534?
Check Price and Availability of Y206-6534, 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 Y206-6534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-6534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-6534
  • 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 Y206-6534 available by request