E730-1576 Screening compound: ethyl 2-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

E730-1576 Screening compound: ethyl 2-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
E730-1576 Screening compound: ethyl 2-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1576
ethyl 2-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

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

E730-1576

Molecular Formula

C24H28N2O7 (C24 H28 N2 O7)

Compound Name

ethyl 2-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

IUPAC name

ethyl 2-(2-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl)acetate

SMILES

CCOC(CC1N(CC(Nc(cc2)cc3c2OCO3)=O)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H28N2O7/c1-4-31-24(28)12-18-17-11-21(30-3)20(29-2)9-15(17)7-8-26(18)13-23(27)25-16-5-6-19-22(10-16)33-14-32-19/h5-6,9-11,18H,4,7-8,12-14H2,1-3H3,(H,25,27)/t18-/m0/s1

InChI Key

KPXKDXSHXDMBAD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14913298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.04

Polar Surface Area

79.019

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E730-1576 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E730-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1576?
Check Price and Availability of E730-1576, 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 E730-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1576
  • 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 E730-1576 available by request