K407-0098 Screening compound: 1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}pentan-1-one

K407-0098 Screening compound: 1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}pentan-1-one
K407-0098 Screening compound: 1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0098
1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}pentan-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

K407-0098

Molecular Formula

C24H31NO5 (C24 H31 NO5)

Compound Name

1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}pentan-1-one

IUPAC name

1-{67-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1234-tetrahydroisoquinolin-2-yl}pentan-1-one

SMILES

CCCCC(N(CC1)C(COc(cccc2)c2OC)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H31NO5/c1-5-6-11-24(26)25-13-12-17-14-22(28-3)23(29-4)15-18(17)19(25)16-30-21-10-8-7-9-20(21)27-2/h7-10,14-15,19H,5-6,11-13,16H2,1-4H3/t19-/m0/s1

InChI Key

MPOVGXRBCMHYSF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04412002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-3.96

Polar Surface Area

46.035

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

K407-0098 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K407-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0098?
Check Price and Availability of K407-0098, 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 K407-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0098
  • 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 K407-0098 available by request