4364-0161 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(2,5-dioxopyrrolidin-1-yl)methyl]dimethylazanium

4364-0161 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(2,5-dioxopyrrolidin-1-yl)methyl]dimethylazanium
4364-0161 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(2,5-dioxopyrrolidin-1-yl)methyl]dimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4364-0161
{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(2,5-dioxopyrrolidin-1-yl)methyl]dimethylazanium

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

4364-0161

Molecular Formula

C22H31N2O5 (C22 H31 N2 O5)

Compound Name

{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(2,5-dioxopyrrolidin-1-yl)methyl]dimethylazanium

IUPAC name

{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}[(25-dioxopyrrolidin-1-yl)methyl]dimethylazanium

SMILES

C[N+](C)(CCOC(C(C1CCCC1)(c1ccccc1)O)=O)CN(C(CC1)=O)C1=O

InChI

InChI=1S/C22H31N2O5/c1-24(2,16-23-19(25)12-13-20(23)26)14-15-29-21(27)22(28,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,18,28H,6-7,10-16H2,1-2H3/q+1/t22-/m0/s1

InChI Key

MNRUYZPLVHJDTJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03297646

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-1.97

Polar Surface Area

68.478

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

-8.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

4364-0161 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4364-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4364-0161?
Check Price and Availability of 4364-0161, 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 4364-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4364-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4364-0161
  • 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 4364-0161 available by request