E847-0162 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E847-0162 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E847-0162 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0162
3-({[2-(cyclohex-1-en-1-yl)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

E847-0162

Molecular Formula

C27H32N2O2 (C27 H32 N2 O2)

Compound Name

3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNCCC1=CCCCC1)c(C(O)=O)n2Cc1c(C)cccc1

InChI

InChI=1S/C27H32N2O2/c1-19-12-13-23-24(17-28-15-14-21-9-4-3-5-10-21)26(27(30)31)29(25(23)16-19)18-22-11-7-6-8-20(22)2/h6-9,11-13,16,28H,3-5,10,14-15,17-18H2,1-2H3,(H,30,31)

InChI Key

JQKZDPNSVNPTJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

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

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.33

Polar Surface Area

40.676

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E847-0162 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E847-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0162?
Check Price and Availability of E847-0162, 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 E847-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0162
  • 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 E847-0162 available by request