D486-0335 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

D486-0335 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
D486-0335 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0335
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

D486-0335

Molecular Formula

C22H22ClN3O4 (C22 H22 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CNC(c1noc(-c(cc2)cc3c2OCCO3)c1)=O)c(cccc1)c1Cl

InChI

InChI=1S/C22H22ClN3O4/c1-26(2)18(15-5-3-4-6-16(15)23)13-24-22(27)17-12-20(30-25-17)14-7-8-19-21(11-14)29-10-9-28-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,24,27)/t18-/m0/s1

InChI Key

FHSPDNYJZIMYKU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12921904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.60

Polar Surface Area

64.352

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D486-0335 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D486-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0335?
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What is the minimum amount of D486-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0335
  • 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 D486-0335 available by request