K407-0251 Screening compound: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate

K407-0251 Screening compound: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
K407-0251 Screening compound: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0251
ethyl 4-[(6,7-dimethoxy-2-pentanoyl-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

K407-0251

Molecular Formula

C26H33NO6 (C26 H33 NO6)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(N(CC1)C(COc(cc2)ccc2C(OCC)=O)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C26H33NO6/c1-5-7-8-25(28)27-14-13-19-15-23(30-3)24(31-4)16-21(19)22(27)17-33-20-11-9-18(10-12-20)26(29)32-6-2/h9-12,15-16,22H,5-8,13-14,17H2,1-4H3/t22-/m0/s1

InChI Key

RSESIABWAHVORJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04412290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.36

Polar Surface Area

59.071

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K407-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K407-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0251?
Check Price and Availability of K407-0251, 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 K407-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0251
  • 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 K407-0251 available by request