5813-1349 Screening compound: 4-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

5813-1349 Screening compound: 4-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole
5813-1349 Screening compound: 4-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5813-1349
4-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

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

5813-1349

Molecular Formula

C16H21ClN2O (C16 H21 ClN2 O)

Compound Name

4-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

IUPAC name

4-[3-(4-chloro-35-dimethylphenoxy)propyl]-35-dimethyl-1H-pyrazole

SMILES

Cc1c(CCCOc(cc2C)cc(C)c2Cl)c(C)n[nH]1

InChI

InChI=1S/C16H21ClN2O/c1-10-8-14(9-11(2)16(10)17)20-7-5-6-15-12(3)18-19-13(15)4/h8-9H,5-7H2,1-4H3,(H,18,19)

InChI Key

NKALMFKGNTXVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02945139

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

292.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.39

Polar Surface Area

31.300

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

5813-1349 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5813-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5813-1349?
Check Price and Availability of 5813-1349, 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 5813-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5813-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5813-1349
  • 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 5813-1349 available by request