E693-0494 Screening compound: 3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E693-0494 Screening compound: 3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E693-0494 Screening compound: 3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0494
3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic 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

E693-0494

Molecular Formula

C27H28N2O3 (C27 H28 N2 O3)

Compound Name

3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

CCOc1c(CNCc2c(C(O)=O)n(Cc3ccc(C)cc3)c3c2cccc3)cccc1

InChI

InChI=1S/C27H28N2O3/c1-3-32-25-11-7-4-8-21(25)16-28-17-23-22-9-5-6-10-24(22)29(26(23)27(30)31)18-20-14-12-19(2)13-15-20/h4-15,28H,3,16-18H2,1-2H3,(H,30,31)

InChI Key

ZQIHIHOFYGEPCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-4.98

Polar Surface Area

47.853

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E693-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0494?
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What is the minimum amount of E693-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0494
  • 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 E693-0494 available by request