6415-0332 Screening compound: 1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

6415-0332 Screening compound: 1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
6415-0332 Screening compound: 1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0332
1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-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

6415-0332

Molecular Formula

C20H17BrF3NO2 (C20 H17 BrF3 NO2)

Compound Name

1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

IUPAC name

1-{5-bromo-1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}-222-trifluoroethan-1-one

SMILES

Cc(cc1)ccc1OCCCn1c(ccc(Br)c2)c2c(C(C(F)(F)F)=O)c1

InChI

InChI=1S/C20H17BrF3NO2/c1-13-3-6-15(7-4-13)27-10-2-9-25-12-17(19(26)20(22,23)24)16-11-14(21)5-8-18(16)25/h3-8,11-12H,2,9-10H2,1H3

InChI Key

AFMIRJYESFBVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.089

Water Solubility, LogSw

-5.37

Polar Surface Area

23.105

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6415-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0332?
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What is the minimum amount of 6415-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0332
  • 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 6415-0332 available by request