6056-0810 Screening compound: N,N-diethyl-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

6056-0810 Screening compound: N,N-diethyl-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide
6056-0810 Screening compound: N,N-diethyl-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0810
N,N-diethyl-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]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

6056-0810

Molecular Formula

C18H21F3N2O2 (C18 H21 F3 N2 O2)

Compound Name

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

IUPAC name

NN-diethyl-2-[7-ethyl-3-(222-trifluoroacetyl)-1H-indol-1-yl]acetamide

SMILES

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

InChI

InChI=1S/C18H21F3N2O2/c1-4-12-8-7-9-13-14(17(25)18(19,20)21)10-23(16(12)13)11-15(24)22(5-2)6-3/h7-10H,4-6,11H2,1-3H3

InChI Key

STHBPOGLPJAGGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.58

Polar Surface Area

31.161

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

6056-0810 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6056-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0810?
Check Price and Availability of 6056-0810, 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 6056-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0810
  • 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 6056-0810 available by request