E730-1572 Screening compound: ethyl 2-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

E730-1572 Screening compound: ethyl 2-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
E730-1572 Screening compound: ethyl 2-(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1572
ethyl 2-(2-{[(2,3-dihydro-1,4-benzodioxin-6-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

E730-1572

Molecular Formula

C25H30N2O7 (C25 H30 N2 O7)

Compound Name

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

IUPAC name

ethyl 2-(2-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl)acetate

SMILES

CCOC(CC1N(CC(Nc(cc2)cc3c2OCCO3)=O)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C25H30N2O7/c1-4-32-25(29)14-19-18-13-22(31-3)21(30-2)11-16(18)7-8-27(19)15-24(28)26-17-5-6-20-23(12-17)34-10-9-33-20/h5-6,11-13,19H,4,7-10,14-15H2,1-3H3,(H,26,28)/t19-/m0/s1

InChI Key

YNLUJBUDSBCCRZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14913296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

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

1.719

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.52

Polar Surface Area

77.727

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E730-1572 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 E730-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1572?
Check Price and Availability of E730-1572, 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 E730-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1572
  • 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 E730-1572 available by request