2622-0298 Screening compound: 1,6-dimethyl-2-(2-oxo-2-phenylethyl)-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium

2622-0298 Screening compound: 1,6-dimethyl-2-(2-oxo-2-phenylethyl)-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium
2622-0298 Screening compound: 1,6-dimethyl-2-(2-oxo-2-phenylethyl)-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2622-0298
1,6-dimethyl-2-(2-oxo-2-phenylethyl)-3H,4H-pyrrolo[1,2-a]pyrazin-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

2622-0298

Molecular Formula

C17H19N2O (C17 H19 N2 O)

Compound Name

1,6-dimethyl-2-(2-oxo-2-phenylethyl)-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium

IUPAC name

16-dimethyl-2-(2-oxo-2-phenylethyl)-3H4H-pyrrolo[12-a]pyrazin-2-ium

SMILES

Cc1ccc2n1CC[N+](CC(c1ccccc1)=O)=C2C

InChI

InChI=1S/C17H19N2O/c1-13-8-9-16-14(2)18(10-11-19(13)16)12-17(20)15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3/q+1

InChI Key

OADDQTGRPKOSLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539980

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.09

Polar Surface Area

16.504

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 2622-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2622-0298?
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What is the minimum amount of 2622-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2622-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2622-0298
  • 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 2622-0298 available by request