6579-0210 Screening compound: 1-({[(2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-ium

6579-0210 Screening compound: 1-({[(2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-ium
6579-0210 Screening compound: 1-({[(2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6579-0210
1-({[(2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-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

6579-0210

Molecular Formula

C29H37N2O5 (C29 H37 N2 O5)

Compound Name

1-({[(2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-ium

IUPAC name

(1R)-1-({[(2Z)-3-(34-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoyl]oxy}methyl)-5-methyl-decahydroquinolizin-5-ium

SMILES

C[N+]1(CCCC2)C2C(COC(/C(/NC(c2ccccc2)=O)=C/c(cc2)cc(OC)c2OC)=O)CCC1

InChI

InChI=1S/C29H36N2O5/c1-31-16-8-7-13-25(31)23(12-9-17-31)20-36-29(33)24(30-28(32)22-10-5-4-6-11-22)18-21-14-15-26(34-2)27(19-21)35-3/h4-6,10-11,14-15,18-19,23,25H,7-9,12-13,16-17,20H2,1-3H3/p+1/t23-,25?,31?/m1/s1

InChI Key

AIJDFFXFTOATQM-IXTAERBESA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

493.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.78

Polar Surface Area

58.152

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.80

6579-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6579-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6579-0210?
Check Price and Availability of 6579-0210, 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 6579-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6579-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6579-0210
  • 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 6579-0210 available by request