8016-0924 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

8016-0924 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
8016-0924 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0924
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

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

8016-0924

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

IUPAC name

1-[4-(13-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

SMILES

O=C(CCc1ccccc1)N(CC1)CCN1c1nc(cccc2)c2o1

InChI

InChI=1S/C20H21N3O2/c24-19(11-10-16-6-2-1-3-7-16)22-12-14-23(15-13-22)20-21-17-8-4-5-9-18(17)25-20/h1-9H,10-15H2

InChI Key

URUDRJDXPZVPBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.78

Polar Surface Area

36.773

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8016-0924 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0924?
Check Price and Availability of 8016-0924, 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 8016-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0924
  • 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 8016-0924 available by request