5813-1042 Screening compound: 4-[3-(4-chloro-2-methylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

5813-1042 Screening compound: 4-[3-(4-chloro-2-methylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole
5813-1042 Screening compound: 4-[3-(4-chloro-2-methylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5813-1042
4-[3-(4-chloro-2-methylphenoxy)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

5813-1042

Molecular Formula

C15H19ClN2O (C15 H19 ClN2 O)

Compound Name

4-[3-(4-chloro-2-methylphenoxy)propyl]-3,5-dimethyl-1H-pyrazole

IUPAC name

4-[3-(4-chloro-2-methylphenoxy)propyl]-35-dimethyl-1H-pyrazole

SMILES

Cc1c(CCCOc(cc2)c(C)cc2Cl)c(C)n[nH]1

InChI

InChI=1S/C15H19ClN2O/c1-10-9-13(16)6-7-15(10)19-8-4-5-14-11(2)17-18-12(14)3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)

InChI Key

RAVBCMUSUXXBOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03838047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.78

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

4.894

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.75

Polar Surface Area

31.386

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5813-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5813-1042?
Check Price and Availability of 5813-1042, 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 5813-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5813-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5813-1042
  • 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 5813-1042 available by request