4161-1597 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate

4161-1597 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate
4161-1597 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-1597
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate

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

4161-1597

Molecular Formula

C15H18N2O2 (C15 H18 N2 O2)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl acetate

SMILES

CC(OC(Cn1nc(C)cc1C)c1ccccc1)=O

InChI

InChI=1S/C15H18N2O2/c1-11-9-12(2)17(16-11)10-15(19-13(3)18)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3/t15-/m0/s1

InChI Key

HGGDJDHWOMRVBP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01852494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-2.01

Polar Surface Area

34.378

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

4161-1597 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4161-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-1597?
Check Price and Availability of 4161-1597, 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 4161-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-1597
  • 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 4161-1597 available by request