D459-0162 Screening compound: 5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D459-0162 Screening compound: 5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D459-0162 Screening compound: 5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0162
5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-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

D459-0162

Molecular Formula

C25H28BrN3O3 (C25 H28 BrN3 O3)

Compound Name

5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

CC(CC1)CCN1C(CNC(c1noc(-c(cc2)ccc2Br)c1)=O)c(cccc1)c1OC

InChI

InChI=1S/C25H28BrN3O3/c1-17-11-13-29(14-12-17)22(20-5-3-4-6-23(20)31-2)16-27-25(30)21-15-24(32-28-21)18-7-9-19(26)10-8-18/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,27,30)/t22-/m0/s1

InChI Key

KXJLNPLYEOWYLU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD10042615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.48

Polar Surface Area

56.807

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D459-0162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Human GPCR Annotated Library (5539 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:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with D459-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0162?
Check Price and Availability of D459-0162, 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 D459-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0162
  • 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 D459-0162 available by request