5829-6339 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-ethoxyanilino)-1-ethanone

5829-6339 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-ethoxyanilino)-1-ethanone
5829-6339 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-ethoxyanilino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5829-6339
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-ethoxyanilino)-1-ethanone

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

5829-6339

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-ethoxyanilino)-1-ethanone

IUPAC name

1-(35-dimethyl-1H-pyrazol-1-yl)-2-[(4-ethoxyphenyl)amino]ethan-1-one

SMILES

CCOc(cc1)ccc1NCC(n1nc(C)cc1C)=O

InChI

InChI=1S/C15H19N3O2/c1-4-20-14-7-5-13(6-8-14)16-10-15(19)18-12(3)9-11(2)17-18/h5-9,16H,4,10H2,1-3H3

InChI Key

QFNDOQYAKAGWPN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-2.27

Polar Surface Area

44.408

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 5829-6339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5829-6339?
Check Price and Availability of 5829-6339, 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 5829-6339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5829-6339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5829-6339
  • 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 5829-6339 available by request