E632-0333 Screening compound: 4-(1-azepanylmethyl)-N-(4-chlorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

E632-0333 Screening compound: 4-(1-azepanylmethyl)-N-(4-chlorophenyl)tetrahydro-1(2H)-pyridinecarboxamide
E632-0333 Screening compound: 4-(1-azepanylmethyl)-N-(4-chlorophenyl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0333
4-(1-azepanylmethyl)-N-(4-chlorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

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

E632-0333

Molecular Formula

C19H28ClN3O (C19 H28 ClN3 O)

Compound Name

4-(1-azepanylmethyl)-N-(4-chlorophenyl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

n/a

SMILES

O=C(Nc(cc1)ccc1Cl)N1CCC(CN2CCCCCC2)CC1

InChI

InChI=1S/C19H28ClN3O/c20-17-5-7-18(8-6-17)21-19(24)23-13-9-16(10-14-23)15-22-11-3-1-2-4-12-22/h5-8,16H,1-4,9-15H2,(H,21,24)

InChI Key

RUZBYWDNSHFDOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-4.49

Polar Surface Area

29.771

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

E632-0333 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E632-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0333?
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What is the minimum amount of E632-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0333
  • 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 E632-0333 available by request