6056-0815 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

6056-0815 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide
6056-0815 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0815
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

6056-0815

Molecular Formula

C22H19F3N2O4 (C22 H19 F3 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[7-ethyl-3-(222-trifluoroacetyl)-1H-indol-1-yl]acetamide

SMILES

CCc1cccc2c1n(CC(NCc(cc1)cc3c1OCO3)=O)cc2C(C(F)(F)F)=O

InChI

InChI=1S/C22H19F3N2O4/c1-2-14-4-3-5-15-16(21(29)22(23,24)25)10-27(20(14)15)11-19(28)26-9-13-6-7-17-18(8-13)31-12-30-17/h3-8,10H,2,9,11-12H2,1H3,(H,26,28)

InChI Key

JLGBLLRHWGBZGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.15

Polar Surface Area

57.072

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6056-0815 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6056-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0815?
Check Price and Availability of 6056-0815, 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 6056-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0815
  • 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 6056-0815 available by request