8012-9985 Screening compound: [2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine

8012-9985 Screening compound: [2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine
8012-9985 Screening compound: [2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9985
[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine

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

8012-9985

Molecular Formula

C20H21F3N2O (C20 H21 F3 N2 O)

Compound Name

[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine

IUPAC name

[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amine

SMILES

Cc1c(CCNCc2ccc(C(F)(F)F)cc2)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C20H21F3N2O/c1-13-17(18-11-16(26-2)7-8-19(18)25-13)9-10-24-12-14-3-5-15(6-4-14)20(21,22)23/h3-8,11,24-25H,9-10,12H2,1-2H3

InChI Key

NWBFIOGWULTPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408220

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-4.41

Polar Surface Area

29.315

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8012-9985 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 8012-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9985?
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What is the minimum amount of 8012-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9985
  • 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 8012-9985 available by request