C226-0827 Screening compound: 1-benzyl-4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine

C226-0827 Screening compound: 1-benzyl-4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine
C226-0827 Screening compound: 1-benzyl-4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0827
1-benzyl-4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine

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

C226-0827

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

1-benzyl-4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine

IUPAC name

1-benzyl-4-[5-(3-methoxyphenyl)-12-oxazole-3-carbonyl]piperazine

SMILES

COc1cccc(-c2cc(C(N3CCN(Cc4ccccc4)CC3)=O)no2)c1

InChI

InChI=1S/C22H23N3O3/c1-27-19-9-5-8-18(14-19)21-15-20(23-28-21)22(26)25-12-10-24(11-13-25)16-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3

InChI Key

VTWINGQJPGFVRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.63

Polar Surface Area

49.506

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C226-0827 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 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
  • Nervous system

References: we are preparing a list of scientific research reports with C226-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0827?
Check Price and Availability of C226-0827, 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 C226-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0827
  • 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 C226-0827 available by request