6415-0656 Screening compound: 1-{5-bromo-1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

6415-0656 Screening compound: 1-{5-bromo-1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
6415-0656 Screening compound: 1-{5-bromo-1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0656
1-{5-bromo-1-[2-(2-fluorophenoxy)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

6415-0656

Molecular Formula

C18H12BrF4NO2 (C18 H12 BrF4 NO2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(F)(F)F)c1cn(CCOc(cccc2)c2F)c(cc2)c1cc2Br

InChI

InChI=1S/C18H12BrF4NO2/c19-11-5-6-15-12(9-11)13(17(25)18(21,22)23)10-24(15)7-8-26-16-4-2-1-3-14(16)20/h1-6,9-10H,7-8H2

InChI Key

OOQCQZZKAAYLEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.67

Polar Surface Area

23.192

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6415-0656 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6415-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0656?
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What is the minimum amount of 6415-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0656
  • 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 6415-0656 available by request