E847-0155 Screening compound: 6-methyl-3-{[(4-methylcyclohexyl)amino]methyl}-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E847-0155 Screening compound: 6-methyl-3-{[(4-methylcyclohexyl)amino]methyl}-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E847-0155 Screening compound: 6-methyl-3-{[(4-methylcyclohexyl)amino]methyl}-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0155
6-methyl-3-{[(4-methylcyclohexyl)amino]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

E847-0155

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1NCc1c(C(O)=O)n(Cc2c(C)cccc2)c2c1ccc(C)c2

InChI

InChI=1S/C26H32N2O2/c1-17-8-11-21(12-9-17)27-15-23-22-13-10-18(2)14-24(22)28(25(23)26(29)30)16-20-7-5-4-6-19(20)3/h4-7,10,13-14,17,21,27H,8-9,11-12,15-16H2,1-3H3,(H,29,30)

InChI Key

VPJKSJFFJQFBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

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

6.559

Distribution Coefficient, logD

6.559

Water Solubility, LogSw

-5.62

Polar Surface Area

40.159

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

E847-0155 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E847-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0155?
Check Price and Availability of E847-0155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E847-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0155
  • 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 E847-0155 available by request