K407-0346 Screening compound: 2-(4-ethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

K407-0346 Screening compound: 2-(4-ethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
K407-0346 Screening compound: 2-(4-ethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0346
2-(4-ethoxybenzoyl)-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

K407-0346

Molecular Formula

C27H28N2O7 (C27 H28 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(N(CC1)C(COc(cc2)ccc2[N+]([O-])=O)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C27H28N2O7/c1-4-35-21-9-5-18(6-10-21)27(30)28-14-13-19-15-25(33-2)26(34-3)16-23(19)24(28)17-36-22-11-7-20(8-12-22)29(31)32/h5-12,15-16,24H,4,13-14,17H2,1-3H3/t24-/m0/s1

InChI Key

MHEYSPRIMTYPDT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04412149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.30

Polar Surface Area

79.079

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with K407-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0346?
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What is the minimum amount of K407-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0346
  • 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 K407-0346 available by request