E847-0345 Screening compound: 3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

E847-0345 Screening compound: 3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
E847-0345 Screening compound: 3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0345
3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-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

E847-0345

Molecular Formula

C28H30N2O3 (C28 H30 N2 O3)

Compound Name

3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

IUPAC name

3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

SMILES

CCc1ccc(CNCc2c(C(O)=O)n(Cc(cc3)ccc3OC)c3c2ccc(C)c3)cc1

InChI

InChI=1S/C28H30N2O3/c1-4-20-6-8-21(9-7-20)16-29-17-25-24-14-5-19(2)15-26(24)30(27(25)28(31)32)18-22-10-12-23(33-3)13-11-22/h5-15,29H,4,16-18H2,1-3H3,(H,31,32)

InChI Key

IPVZJZSTOHTAER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

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

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.39

Polar Surface Area

48.186

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E847-0345 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with E847-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0345?
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What is the minimum amount of E847-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0345
  • 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 E847-0345 available by request