6415-0790 Screening compound: 1-{5-bromo-1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one

6415-0790 Screening compound: 1-{5-bromo-1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
6415-0790 Screening compound: 1-{5-bromo-1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0790
1-{5-bromo-1-[2-(4-methoxyphenoxy)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

6415-0790

Molecular Formula

C19H15BrF3NO3 (C19 H15 BrF3 NO3)

Compound Name

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

IUPAC name

1-{5-bromo-1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}-222-trifluoroethan-1-one

SMILES

COc(cc1)ccc1OCCn1c(ccc(Br)c2)c2c(C(C(F)(F)F)=O)c1

InChI

InChI=1S/C19H15BrF3NO3/c1-26-13-3-5-14(6-4-13)27-9-8-24-11-16(18(25)19(21,22)23)15-10-12(20)2-7-17(15)24/h2-7,10-11H,8-9H2,1H3

InChI Key

MQVFGYISOQFZAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.41

Polar Surface Area

30.649

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6415-0790 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 6415-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0790?
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What is the minimum amount of 6415-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0790
  • 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 6415-0790 available by request