8013-1040 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

8013-1040 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
8013-1040 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1040
3-(4-benzylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

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

8013-1040

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

3-(4-benzylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-(4-benzylpiperazin-1-yl)-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCN2CCN(Cc3ccccc3)CC2)=O)no1

InChI

InChI=1S/C18H24N4O2/c1-15-13-17(20-24-15)19-18(23)7-8-21-9-11-22(12-10-21)14-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)

InChI Key

XLYWXIGBRBSOBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408992

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.69

Polar Surface Area

52.435

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8013-1040 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1040?
Check Price and Availability of 8013-1040, 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 8013-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1040
  • 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 8013-1040 available by request