6655-0473 Screening compound: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-1H-indole

6655-0473 Screening compound: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-1H-indole
6655-0473 Screening compound: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6655-0473
1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-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

6655-0473

Molecular Formula

C25H25NO2S (C25 H25 NO2 S)

Compound Name

1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-1H-indole

IUPAC name

1-[2-(4-tert-butylphenoxy)ethyl]-3-(thiophene-2-carbonyl)-1H-indole

SMILES

CC(C)(C)c(cc1)ccc1OCCn1c(cccc2)c2c(C(c2cccs2)=O)c1

InChI

InChI=1S/C25H25NO2S/c1-25(2,3)18-10-12-19(13-11-18)28-15-14-26-17-21(20-7-4-5-8-22(20)26)24(27)23-9-6-16-29-23/h4-13,16-17H,14-15H2,1-3H3

InChI Key

WBIMSZMWCUKOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04329153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.972

Distribution Coefficient, logD

6.972

Water Solubility, LogSw

-5.77

Polar Surface Area

23.852

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

6655-0473 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6655-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6655-0473?
Check Price and Availability of 6655-0473, 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 6655-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6655-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6655-0473
  • 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 6655-0473 available by request