E771-0372 Screening compound: N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide

E771-0372 Screening compound: N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide
E771-0372 Screening compound: N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E771-0372
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-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

E771-0372

Molecular Formula

C21H20ClN3O (C21 H20 ClN3 O)

Compound Name

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)-1236-tetrahydropyridine-1-carboxamide

SMILES

Cc(ccc(NC(N(CC1)CC=C1c1c[nH]c2c1cccc2)=O)c1)c1Cl

InChI

InChI=1S/C21H20ClN3O/c1-14-6-7-16(12-19(14)22)24-21(26)25-10-8-15(9-11-25)18-13-23-20-5-3-2-4-17(18)20/h2-8,12-13,23H,9-11H2,1H3,(H,24,26)

InChI Key

BIVSYVODYFFTCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10372947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.86

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.91

Polar Surface Area

35.307

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E771-0372 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

GABA Library (7115 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E771-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E771-0372?
Check Price and Availability of E771-0372, 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 E771-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E771-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E771-0372
  • 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 E771-0372 available by request