E540-0514 Screening compound: 2-{6,7-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

E540-0514 Screening compound: 2-{6,7-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
E540-0514 Screening compound: 2-{6,7-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0514
2-{6,7-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

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

E540-0514

Molecular Formula

C24H30N2O6 (C24 H30 N2 O6)

Compound Name

2-{6,7-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

IUPAC name

2-{67-diethoxy-2-[(4-ethoxyphenyl)carbamoyl]-1234-tetrahydroisoquinolin-1-yl}acetic acid

SMILES

CCOc(cc1)ccc1NC(N(CC1)C(CC(O)=O)c(cc2OCC)c1cc2OCC)=O

InChI

InChI=1S/C24H30N2O6/c1-4-30-18-9-7-17(8-10-18)25-24(29)26-12-11-16-13-21(31-5-2)22(32-6-3)14-19(16)20(26)15-23(27)28/h7-10,13-14,20H,4-6,11-12,15H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1

InChI Key

PYZOKAGTVQVGRV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14897227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

-0.183

Water Solubility, LogSw

-2.97

Polar Surface Area

74.834

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E540-0514 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E540-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0514?
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What is the minimum amount of E540-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0514
  • 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 E540-0514 available by request