K407-0338 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0338 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0338 Screening compound: ethyl 4-{[6,7-dimethoxy-2-(2-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0338
ethyl 4-{[6,7-dimethoxy-2-(2-nitrobenzoyl)-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

K407-0338

Molecular Formula

C28H28N2O8 (C28 H28 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cccc1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C28H28N2O8/c1-4-37-28(32)18-9-11-20(12-10-18)38-17-24-22-16-26(36-3)25(35-2)15-19(22)13-14-29(24)27(31)21-7-5-6-8-23(21)30(33)34/h5-12,15-16,24H,4,13-14,17H2,1-3H3/t24-/m0/s1

InChI Key

CGKMKUGUWRRAHO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03018989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.25

Polar Surface Area

92.408

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K407-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0338?
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What is the minimum amount of K407-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0338
  • 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 K407-0338 available by request