4161-1599 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenoxypropan-2-yl acetate

4161-1599 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenoxypropan-2-yl acetate
4161-1599 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenoxypropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-1599
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenoxypropan-2-yl 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

4161-1599

Molecular Formula

C16H20N2O3 (C16 H20 N2 O3)

Compound Name

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

IUPAC name

1-(35-dimethyl-1H-pyrazol-1-yl)-3-phenoxypropan-2-yl acetate

SMILES

CC(OC(Cn1nc(C)cc1C)COc1ccccc1)=O

InChI

InChI=1S/C16H20N2O3/c1-12-9-13(2)18(17-12)10-16(21-14(3)19)11-20-15-7-5-4-6-8-15/h4-9,16H,10-11H2,1-3H3/t16-/m0/s1

InChI Key

RBDNXZQHFJTOCV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01858011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.29

Polar Surface Area

41.774

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4161-1599 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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 4161-1599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-1599?
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What is the minimum amount of 4161-1599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-1599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-1599
  • 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 4161-1599 available by request