2101-0156 Screening compound: 3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium

2101-0156 Screening compound: 3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium
2101-0156 Screening compound: 3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2101-0156
3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium

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

2101-0156

Molecular Formula

C21H24N3 (C21 H24 N3)

Compound Name

3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium

IUPAC name

3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-ethyl-1-phenyl-1H-pyrazol-2-ium

SMILES

CC[n+]1c(/C=C/c(cc2)ccc2N(C)C)ccn1-c1ccccc1

InChI

InChI=1S/C21H24N3/c1-4-23-21(16-17-24(23)20-8-6-5-7-9-20)15-12-18-10-13-19(14-11-18)22(2)3/h5-17H,4H2,1-3H3/q+1

InChI Key

JJZZSBKQNVPHMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00847478

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

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

-4.56

Polar Surface Area

8.186

Acid Dissociation Constant (pKa)

28.74

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2101-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2101-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2101-0156?
Check Price and Availability of 2101-0156, 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 2101-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2101-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2101-0156
  • 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 2101-0156 available by request