E847-0181 Screening compound: 3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E847-0181 Screening compound: 3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E847-0181 Screening compound: 3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0181
3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-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

E847-0181

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(25-dimethoxyphenyl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNCCc(cc(cc1)OC)c1OC)c(C(O)=O)n2Cc1c(C)cccc1

InChI

InChI=1S/C29H32N2O4/c1-19-9-11-24-25(17-30-14-13-21-16-23(34-3)10-12-27(21)35-4)28(29(32)33)31(26(24)15-19)18-22-8-6-5-7-20(22)2/h5-12,15-16,30H,13-14,17-18H2,1-4H3,(H,32,33)

InChI Key

SYAKPQUNRBYCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.51

Polar Surface Area

55.658

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with E847-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0181?
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What is the minimum amount of E847-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0181
  • 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 E847-0181 available by request