E693-0086 Screening compound: 3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E693-0086 Screening compound: 3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E693-0086 Screening compound: 3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0086
3-({[2-(4-chlorophenyl)ethyl]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

E693-0086

Molecular Formula

C26H25ClN2O2 (C26 H25 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(O)=O)c(CNCCc(cc3)ccc3Cl)c3c2cccc3)cc1

InChI

InChI=1S/C26H25ClN2O2/c1-18-6-8-20(9-7-18)17-29-24-5-3-2-4-22(24)23(25(29)26(30)31)16-28-15-14-19-10-12-21(27)13-11-19/h2-13,28H,14-17H2,1H3,(H,30,31)

InChI Key

DKGUIUKTKXNWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.84

Polar Surface Area

40.484

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with E693-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0086?
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What is the minimum amount of E693-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0086
  • 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 E693-0086 available by request