6415-0716 Screening compound: 1-{5-bromo-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

6415-0716 Screening compound: 1-{5-bromo-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
6415-0716 Screening compound: 1-{5-bromo-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0716
1-{5-bromo-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

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

6415-0716

Molecular Formula

C21H16BrF3N2O2 (C21 H16 BrF3 N2 O2)

Compound Name

1-{5-bromo-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

IUPAC name

1-{5-bromo-1-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-1H-indol-3-yl}-222-trifluoroethan-1-one

SMILES

O=C(Cn1c(ccc(Br)c2)c2c(C(C(F)(F)F)=O)c1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C21H16BrF3N2O2/c22-14-7-8-18-15(10-14)16(20(29)21(23,24)25)11-26(18)12-19(28)27-9-3-5-13-4-1-2-6-17(13)27/h1-2,4,6-8,10-11H,3,5,9,12H2

InChI Key

MFEILYJUDJAKET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04310074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.76

Polar Surface Area

30.766

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6415-0716 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6415-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0716?
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What is the minimum amount of 6415-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0716
  • 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 6415-0716 available by request