E494-5302 Screening compound: 2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole

E494-5302 Screening compound: 2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole
E494-5302 Screening compound: 2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E494-5302
2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole

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

E494-5302

Molecular Formula

C20H17NS (C20 H17 NS)

Compound Name

2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole

IUPAC name

2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole

SMILES

Cc1c(C(c2cccs2)c2ccccc2)c(cccc2)c2[nH]1

InChI

InChI=1S/C20H17NS/c1-14-19(16-10-5-6-11-17(16)21-14)20(18-12-7-13-22-18)15-8-3-2-4-9-15/h2-13,20-21H,1H3/t20-/m0/s1

InChI Key

HUWWKSABSBVCMF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14855827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.43

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-6.01

Polar Surface Area

10.640

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

E494-5302 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E494-5302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E494-5302?
Check Price and Availability of E494-5302, 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 E494-5302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E494-5302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E494-5302
  • 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 E494-5302 available by request