E730-0279 Screening compound: ethyl 2-(6,7-dimethoxy-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate

E730-0279 Screening compound: ethyl 2-(6,7-dimethoxy-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate
E730-0279 Screening compound: ethyl 2-(6,7-dimethoxy-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-0279
ethyl 2-(6,7-dimethoxy-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)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

E730-0279

Molecular Formula

C24H27F3N2O5 (C24 H27 F3 N2 O5)

Compound Name

ethyl 2-(6,7-dimethoxy-2-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate

IUPAC name

ethyl 2-[67-dimethoxy-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-1234-tetrahydroisoquinolin-1-yl]acetate

SMILES

CCOC(CC1N(CC(Nc2c(C(F)(F)F)cccc2)=O)CCc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H27F3N2O5/c1-4-34-23(31)13-19-16-12-21(33-3)20(32-2)11-15(16)9-10-29(19)14-22(30)28-18-8-6-5-7-17(18)24(25,26)27/h5-8,11-12,19H,4,9-10,13-14H2,1-3H3,(H,28,30)/t19-/m0/s1

InChI Key

GDGXJORUBHLGFX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14913268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.48

Polar Surface Area

61.206

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

E730-0279 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E730-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-0279?
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What is the minimum amount of E730-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-0279
  • 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 E730-0279 available by request