6056-0846 Screening compound: 2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-methyl-N-phenylacetamide

6056-0846 Screening compound: 2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-methyl-N-phenylacetamide
6056-0846 Screening compound: 2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0846
2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]-N-methyl-N-phenylacetamide

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

6056-0846

Molecular Formula

C19H14BrF3N2O2 (C19 H14 BrF3 N2 O2)

Compound Name

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

IUPAC name

2-[5-bromo-3-(222-trifluoroacetyl)-1H-indol-1-yl]-N-methyl-N-phenylacetamide

SMILES

CN(C(Cn1c(ccc(Br)c2)c2c(C(C(F)(F)F)=O)c1)=O)c1ccccc1

InChI

InChI=1S/C19H14BrF3N2O2/c1-24(13-5-3-2-4-6-13)17(26)11-25-10-15(18(27)19(21,22)23)14-9-12(20)7-8-16(14)25/h2-10H,11H2,1H3

InChI Key

GKCWURFIYQPOTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-3.97

Polar Surface Area

30.822

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6056-0846 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6056-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0846?
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What is the minimum amount of 6056-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0846
  • 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 6056-0846 available by request