1656-0112 Screening compound: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium

1656-0112 Screening compound: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium
1656-0112 Screening compound: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1656-0112
2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-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

1656-0112

Molecular Formula

C20H25N2O2 (C20 H25 N2 O2)

Compound Name

2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3H,4H-pyrrolo[1,2-a]pyrazin-2-ium

IUPAC name

2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3H4H-pyrrolo[12-a]pyrazin-2-ium

SMILES

CCCC1=[N+](CC(c(cc2)ccc2OC)=O)CCn2c1ccc2C

InChI

InChI=1S/C20H25N2O2/c1-4-5-18-19-11-6-15(2)22(19)13-12-21(18)14-20(23)16-7-9-17(24-3)10-8-16/h6-11H,4-5,12-14H2,1-3H3/q+1

InChI Key

VSLRNXHCKXIIMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01881330

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.98

Polar Surface Area

24.196

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 1656-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1656-0112?
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What is the minimum amount of 1656-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1656-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1656-0112
  • 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 1656-0112 available by request