8019-8590 Screening compound: 4-(3,4-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

8019-8590 Screening compound: 4-(3,4-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
8019-8590 Screening compound: 4-(3,4-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8590
4-(3,4-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

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

8019-8590

Molecular Formula

C15H18F3N3O2 (C15 H18 F3 N3 O2)

Compound Name

4-(3,4-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

IUPAC name

4-(34-diethoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

SMILES

CCOc(ccc(-c1c(N)n(C)nc1C(F)(F)F)c1)c1OCC

InChI

InChI=1S/C15H18F3N3O2/c1-4-22-10-7-6-9(8-11(10)23-5-2)12-13(15(16,17)18)20-21(3)14(12)19/h6-8H,4-5,19H2,1-3H3

InChI Key

BDLXFBACOHIWPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09743328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.66

Polar Surface Area

48.671

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8019-8590 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8590?
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What is the minimum amount of 8019-8590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8590
  • 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 8019-8590 available by request