E693-0626 Screening compound: 1-[(4-methylphenyl)methyl]-3-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

E693-0626 Screening compound: 1-[(4-methylphenyl)methyl]-3-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
E693-0626 Screening compound: 1-[(4-methylphenyl)methyl]-3-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0626
1-[(4-methylphenyl)methyl]-3-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}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

E693-0626

Molecular Formula

C29H32N2O5 (C29 H32 N2 O5)

Compound Name

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

IUPAC name

1-[(4-methylphenyl)methyl]-3-({[2-(234-trimethoxyphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

Cc1ccc(Cn2c(C(O)=O)c(CNCCc(ccc(OC)c3OC)c3OC)c3c2cccc3)cc1

InChI

InChI=1S/C29H32N2O5/c1-19-9-11-20(12-10-19)18-31-24-8-6-5-7-22(24)23(26(31)29(32)33)17-30-16-15-21-13-14-25(34-2)28(36-4)27(21)35-3/h5-14,30H,15-18H2,1-4H3,(H,32,33)

InChI Key

LJPPHFZSQSUXPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.19

Polar Surface Area

63.548

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

E693-0626 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E693-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0626?
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What is the minimum amount of E693-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0626
  • 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 E693-0626 available by request