E771-0402 Screening compound: 4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide

E771-0402 Screening compound: 4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide
E771-0402 Screening compound: 4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E771-0402
4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide

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

E771-0402

Molecular Formula

C21H18F3N3O (C21 H18 F3 N3 O)

Compound Name

4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide

IUPAC name

4-(1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1236-tetrahydropyridine-1-carboxamide

SMILES

O=C(Nc1c(C(F)(F)F)cccc1)N(CC1)CC=C1c1c[nH]c2c1cccc2

InChI

InChI=1S/C21H18F3N3O/c22-21(23,24)17-6-2-4-8-19(17)26-20(28)27-11-9-14(10-12-27)16-13-25-18-7-3-1-5-15(16)18/h1-9,13,25H,10-12H2,(H,26,28)

InChI Key

PDNKAMTWSOMMTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.48

Polar Surface Area

34.609

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E771-0402 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E771-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E771-0402?
Check Price and Availability of E771-0402, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E771-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E771-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E771-0402
  • 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 E771-0402 available by request