E632-0100 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

E632-0100 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
E632-0100 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0100
N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-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

E632-0100

Molecular Formula

C19H27BrFN3O (C19 H27 BrFN3 O)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

SMILES

CC1CCN(CC(CC2)CCN2C(Nc(ccc(Br)c2)c2F)=O)CC1

InChI

InChI=1S/C19H27BrFN3O/c1-14-4-8-23(9-5-14)13-15-6-10-24(11-7-15)19(25)22-18-3-2-16(20)12-17(18)21/h2-3,12,14-15H,4-11,13H2,1H3,(H,22,25)

InChI Key

IBPCJPXESDUVSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.35

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

4.593

Distribution Coefficient, logD

1.652

Water Solubility, LogSw

-4.32

Polar Surface Area

28.742

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

E632-0100 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E632-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0100?
Check Price and Availability of E632-0100, 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 E632-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0100
  • 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 E632-0100 available by request