E693-0406 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid

E693-0406 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid
E693-0406 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0406
3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-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

E693-0406

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid

SMILES

Cn1c(C(O)=O)c(CNCCc(cccc2)c2Cl)c2c1cccc2

InChI

InChI=1S/C19H19ClN2O2/c1-22-17-9-5-3-7-14(17)15(18(22)19(23)24)12-21-11-10-13-6-2-4-8-16(13)20/h2-9,21H,10-12H2,1H3,(H,23,24)

InChI Key

YCDFDCSEAVTQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.22

Polar Surface Area

41.565

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

10.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E693-0406 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E693-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0406?
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What is the minimum amount of E693-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0406
  • 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 E693-0406 available by request