6223-0172 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate

6223-0172 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate
6223-0172 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6223-0172
(octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate

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

6223-0172

Molecular Formula

C28H34N2O5 (C28 H34 N2 O5)

Compound Name

(octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate

IUPAC name

(octahydro-1H-quinolizin-1-yl)methyl (2Z)-3-(34-dimethoxyphenyl)-2-(phenylformamido)prop-2-enoate

SMILES

COc(ccc(/C=C(/C(OCC1C(CCCC2)N2CCC1)=O)\NC(c1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C28H34N2O5/c1-33-25-14-13-20(18-26(25)34-2)17-23(29-27(31)21-9-4-3-5-10-21)28(32)35-19-22-11-8-16-30-15-7-6-12-24(22)30/h3-5,9-10,13-14,17-18,22,24H,6-8,11-12,15-16,19H2,1-2H3,(H,29,31)

InChI Key

IYIOPCNBPWTIBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06071935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.425

Distribution Coefficient, logD

0.411

Water Solubility, LogSw

-3.67

Polar Surface Area

61.632

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

6223-0172 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6223-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6223-0172?
Check Price and Availability of 6223-0172, 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 6223-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6223-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6223-0172
  • 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 6223-0172 available by request