K407-0109 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0109 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0109 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0109
ethyl 4-{[6,7-dimethoxy-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

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

K407-0109

Molecular Formula

C25H31NO6 (C25 H31 NO6)

Compound Name

ethyl 4-{[6,7-dimethoxy-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

IUPAC name

ethyl 4-{[67-dimethoxy-2-(2-methylpropanoyl)-1234-tetrahydroisoquinolin-1-yl]methoxy}benzoate

SMILES

CCOC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(C(C)C)=O)=O

InChI

InChI=1S/C25H31NO6/c1-6-31-25(28)17-7-9-19(10-8-17)32-15-21-20-14-23(30-5)22(29-4)13-18(20)11-12-26(21)24(27)16(2)3/h7-10,13-14,16,21H,6,11-12,15H2,1-5H3/t21-/m0/s1

InChI Key

UMJHSDYKCDDQED-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04412289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.21

Polar Surface Area

59.599

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K407-0109 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 K407-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0109?
Check Price and Availability of K407-0109, 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 K407-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0109
  • 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 K407-0109 available by request