E730-1737 Screening compound: ethyl 2-(2-{[(2,5-difluorophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

E730-1737 Screening compound: ethyl 2-(2-{[(2,5-difluorophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
E730-1737 Screening compound: ethyl 2-(2-{[(2,5-difluorophenyl)carbamoyl]methyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1737
ethyl 2-(2-{[(2,5-difluorophenyl)carbamoyl]methyl}-6,7-diethoxy-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

E730-1737

Molecular Formula

C25H30F2N2O5 (C25 H30 F2 N2 O5)

Compound Name

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

IUPAC name

ethyl 2-(2-{[(25-difluorophenyl)carbamoyl]methyl}-67-diethoxy-1234-tetrahydroisoquinolin-1-yl)acetate

SMILES

CCOC(CC1N(CC(Nc(cc(cc2)F)c2F)=O)CCc(cc2OCC)c1cc2OCC)=O

InChI

InChI=1S/C25H30F2N2O5/c1-4-32-22-11-16-9-10-29(15-24(30)28-20-12-17(26)7-8-19(20)27)21(14-25(31)34-6-3)18(16)13-23(22)33-5-2/h7-8,11-13,21H,4-6,9-10,14-15H2,1-3H3,(H,28,30)/t21-/m0/s1

InChI Key

OGTWUFHGSBKXMR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14913310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-3.19

Polar Surface Area

60.366

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with E730-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1737?
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What is the minimum amount of E730-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1737
  • 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 E730-1737 available by request