E822-0411 Screening compound: 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

E822-0411 Screening compound: 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
E822-0411 Screening compound: 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-0411
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

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

E822-0411

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

IUPAC name

3-cyclopropyl-N-[2-(34-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

SMILES

COc(ccc(CCNC(c1cc(C2CC2)n[nH]1)=O)c1)c1OC

InChI

InChI=1S/C17H21N3O3/c1-22-15-6-3-11(9-16(15)23-2)7-8-18-17(21)14-10-13(19-20-14)12-4-5-12/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

SZYVYTFKYQTEBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.58

Polar Surface Area

62.767

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E822-0411 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E822-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-0411?
Check Price and Availability of E822-0411, 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 E822-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-0411
  • 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 E822-0411 available by request