D486-0256 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D486-0256 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D486-0256 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0256
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-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

D486-0256

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)NCC(c1cccs1)N1CCCCC1

InChI

InChI=1S/C23H25N3O4S/c27-23(24-15-18(22-5-4-12-31-22)26-8-2-1-3-9-26)17-14-20(30-25-17)16-6-7-19-21(13-16)29-11-10-28-19/h4-7,12-14,18H,1-3,8-11,15H2,(H,24,27)/t18-/m0/s1

InChI Key

KGWDLEUFPCMUMI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12921884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.36

Polar Surface Area

66.018

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D486-0256 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D486-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0256?
Check Price and Availability of D486-0256, 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 D486-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0256
  • 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 D486-0256 available by request