4964-5224 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine

4964-5224 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine
4964-5224 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-5224
[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine

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

4964-5224

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2,5-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine

IUPAC name

[2-(2H-13-benzodioxol-5-yl)ethyl][(25-dimethoxyphenyl)methyl][(2-ethoxyphenyl)methyl]amine

SMILES

CCOc1c(CN(CCc(cc2)cc3c2OCO3)Cc(cc(cc2)OC)c2OC)cccc1

InChI

InChI=1S/C27H31NO5/c1-4-31-25-8-6-5-7-21(25)17-28(18-22-16-23(29-2)10-12-24(22)30-3)14-13-20-9-11-26-27(15-20)33-19-32-26/h5-12,15-16H,4,13-14,17-19H2,1-3H3

InChI Key

KUMJMHXPCWQTMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177397

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.492

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-5.51

Polar Surface Area

43.157

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4964-5224 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4964-5224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-5224?
Check Price and Availability of 4964-5224, 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 4964-5224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-5224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-5224
  • 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 4964-5224 available by request