D486-0529 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide

D486-0529 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
D486-0529 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0529
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-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

D486-0529

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CNC(c1noc(-c(cc2)cc3c2OCCO3)c1)=O)c1cccs1

InChI

InChI=1S/C20H21N3O4S/c1-23(2)15(19-4-3-9-28-19)12-21-20(24)14-11-17(27-22-14)13-5-6-16-18(10-13)26-8-7-25-16/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,21,24)/t15-/m0/s1

InChI Key

OKKROOUOSHEGEJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD12921912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

2.030

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-2.76

Polar Surface Area

65.370

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D486-0529 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D486-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0529?
Check Price and Availability of D486-0529, 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 D486-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0529
  • 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 D486-0529 available by request