E690-0046 Screening compound: 2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

E690-0046 Screening compound: 2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
E690-0046 Screening compound: 2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E690-0046
2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

E690-0046

Molecular Formula

C26H24N2O3S (C26 H24 N2 O3 S)

Compound Name

2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(3-phenylmethanesulfonyl-1H-indol-1-yl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(S(Cc2ccccc2)(=O)=O)c1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C26H24N2O3S/c29-26(28-16-8-12-21-11-4-6-14-23(21)28)18-27-17-25(22-13-5-7-15-24(22)27)32(30,31)19-20-9-2-1-3-10-20/h1-7,9-11,13-15,17H,8,12,16,18-19H2

InChI Key

XYLAPFPAGZEOEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06706759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-3.99

Polar Surface Area

45.792

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E690-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E690-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E690-0046?
Check Price and Availability of E690-0046, 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 E690-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E690-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E690-0046
  • 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 E690-0046 available by request