K407-0462 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

K407-0462 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}prop-2-en-1-one
K407-0462 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-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 K407-0462
(2E)-3-(3,4-dimethoxyphenyl)-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

K407-0462

Molecular Formula

C29H30FNO6 (C29 H30 FNO6)

Compound Name

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

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-2-yl}prop-2-en-1-one

SMILES

COc(ccc(/C=C/C(N(CC1)C(COc(cc2)ccc2F)c(cc2OC)c1cc2OC)=O)c1)c1OC

InChI

InChI=1S/C29H30FNO6/c1-33-25-11-5-19(15-26(25)34-2)6-12-29(32)31-14-13-20-16-27(35-3)28(36-4)17-23(20)24(31)18-37-22-9-7-21(30)8-10-22/h5-12,15-17,24H,13-14,18H2,1-4H3/t24-/m0/s1

InChI Key

PFISSHOFJDGGOK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04411846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.36

Polar Surface Area

53.307

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

K407-0462 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K407-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0462?
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What is the minimum amount of K407-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0462
  • 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 K407-0462 available by request