6056-0817 Screening compound: 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide

6056-0817 Screening compound: 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide
6056-0817 Screening compound: 2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0817
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide

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

6056-0817

Molecular Formula

C19H17F3N2O3 (C19 H17 F3 N2 O3)

Compound Name

2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[7-ethyl-3-(222-trifluoroacetyl)-1H-indol-1-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

CCc1cccc2c1n(CC(NCc1ccco1)=O)cc2C(C(F)(F)F)=O

InChI

InChI=1S/C19H17F3N2O3/c1-2-12-5-3-7-14-15(18(26)19(20,21)22)10-24(17(12)14)11-16(25)23-9-13-6-4-8-27-13/h3-8,10H,2,9,11H2,1H3,(H,23,25)

InChI Key

WMCCSVFBILSVTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.07

Polar Surface Area

47.705

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6056-0817 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6056-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0817?
Check Price and Availability of 6056-0817, 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 6056-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0817
  • 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 6056-0817 available by request