K407-0393 Screening compound: 2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

K407-0393 Screening compound: 2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
K407-0393 Screening compound: 2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0393
2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

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

K407-0393

Molecular Formula

C29H32N2O8 (C29 H32 N2 O8)

Compound Name

2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(34-diethoxybenzoyl)-67-dimethoxy-1-[(4-nitrophenoxy)methyl]-1234-tetrahydroisoquinoline

SMILES

CCOc(ccc(C(N(CC1)C(COc(cc2)ccc2[N+]([O-])=O)c(cc2OC)c1cc2OC)=O)c1)c1OCC

InChI

InChI=1S/C29H32N2O8/c1-5-37-25-12-7-20(16-28(25)38-6-2)29(32)30-14-13-19-15-26(35-3)27(36-4)17-23(19)24(30)18-39-22-10-8-21(9-11-22)31(33)34/h7-12,15-17,24H,5-6,13-14,18H2,1-4H3/t24-/m0/s1

InChI Key

DUCIRFIRMUSLDR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04412165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.23

Polar Surface Area

86.376

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

K407-0393 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K407-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0393?
Check Price and Availability of K407-0393, 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 K407-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0393
  • 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 K407-0393 available by request