K407-0323 Screening compound: 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-1-one

K407-0323 Screening compound: 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-1-one
K407-0323 Screening compound: 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0323
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-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

K407-0323

Molecular Formula

C26H25FN2O6 (C26 H25 FN2 O6)

Compound Name

1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-1-one

IUPAC name

1-{67-dimethoxy-1-[(4-nitrophenoxy)methyl]-1234-tetrahydroisoquinolin-2-yl}-2-(4-fluorophenyl)ethan-1-one

SMILES

COc1cc(CCN(C2COc(cc3)ccc3[N+]([O-])=O)C(Cc(cc3)ccc3F)=O)c2cc1OC

InChI

InChI=1S/C26H25FN2O6/c1-33-24-14-18-11-12-28(26(30)13-17-3-5-19(27)6-4-17)23(22(18)15-25(24)34-2)16-35-21-9-7-20(8-10-21)29(31)32/h3-10,14-15,23H,11-13,16H2,1-2H3/t23-/m0/s1

InChI Key

NNBWERKVMQIFGV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03018986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.35

Polar Surface Area

71.428

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

K407-0323 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K407-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0323?
Check Price and Availability of K407-0323, 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 K407-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0323
  • 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 K407-0323 available by request