6655-0462 Screening compound: ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate

6655-0462 Screening compound: ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate
6655-0462 Screening compound: ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6655-0462
ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate

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

6655-0462

Molecular Formula

C24H20N2O4S (C24 H20 N2 O4 S)

Compound Name

ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1c(cccc2)c2c(C(c2cccs2)=O)c1)=O)=O

InChI

InChI=1S/C24H20N2O4S/c1-2-30-24(29)16-9-11-17(12-10-16)25-22(27)15-26-14-19(18-6-3-4-7-20(18)26)23(28)21-8-5-13-31-21/h3-14H,2,15H2,1H3,(H,25,27)

InChI Key

YXGVUCOMMHMDTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04333228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.08

Polar Surface Area

60.359

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6655-0462 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 6655-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6655-0462?
Check Price and Availability of 6655-0462, 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 6655-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6655-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6655-0462
  • 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 6655-0462 available by request