K407-0467 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

K407-0467 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one
K407-0467 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0467
(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

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

K407-0467

Molecular Formula

C28H26FNO6 (C28 H26 FNO6)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-1-{1-[(4-fluorophenoxy)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

SMILES

COc1cc(CCN(C2COc(cc3)ccc3F)C(/C=C/c(cc3)cc4c3OCO4)=O)c2cc1OC

InChI

InChI=1S/C28H26FNO6/c1-32-25-14-19-11-12-30(28(31)10-4-18-3-9-24-27(13-18)36-17-35-24)23(22(19)15-26(25)33-2)16-34-21-7-5-20(29)6-8-21/h3-10,13-15,23H,11-12,16-17H2,1-2H3/t23-/m0/s1

InChI Key

MVINPOZQZLCNCO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04411859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.46

Polar Surface Area

55.162

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

K407-0467 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K407-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0467?
Check Price and Availability of K407-0467, 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 K407-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0467
  • 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 K407-0467 available by request