6415-0787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide

6415-0787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide
6415-0787 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0787
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-methyl-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

6415-0787

Molecular Formula

C21H17F3N2O4 (C21 H17 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(C(F)(F)F)=O)c(cccc2)c2n1CC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H17F3N2O4/c1-12-19(20(28)21(22,23)24)14-4-2-3-5-15(14)26(12)10-18(27)25-9-13-6-7-16-17(8-13)30-11-29-16/h2-8H,9-11H2,1H3,(H,25,27)

InChI Key

BIOPFYXPFPAZTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.28

Polar Surface Area

56.765

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 6415-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0787?
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What is the minimum amount of 6415-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0787
  • 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 6415-0787 available by request