K407-0125 Screening compound: ethyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate

K407-0125 Screening compound: ethyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
K407-0125 Screening compound: ethyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0125
ethyl 4-({6,7-dimethoxy-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-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

K407-0125

Molecular Formula

C32H36N2O8S (C32 H36 N2 O8 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C32H36N2O8S/c1-4-41-32(36)23-7-11-25(12-8-23)42-21-28-27-20-30(40-3)29(39-2)19-24(27)15-18-34(28)31(35)22-9-13-26(14-10-22)43(37,38)33-16-5-6-17-33/h7-14,19-20,28H,4-6,15-18,21H2,1-3H3/t28-/m0/s1

InChI Key

XLCCJLUKKSNCSS-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD04412324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.28

Polar Surface Area

91.404

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

K407-0125 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K407-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0125?
Check Price and Availability of K407-0125, 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 K407-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0125
  • 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 K407-0125 available by request