D486-0160 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

D486-0160 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
D486-0160 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D486-0160
N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)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

D486-0160

Molecular Formula

C24H24ClN3O4 (C24 H24 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)NCC(c(cccc1)c1Cl)N1CCCC1

InChI

InChI=1S/C24H24ClN3O4/c25-18-6-2-1-5-17(18)20(28-9-3-4-10-28)15-26-24(29)19-14-22(32-27-19)16-7-8-21-23(13-16)31-12-11-30-21/h1-2,5-8,13-14,20H,3-4,9-12,15H2,(H,26,29)/t20-/m0/s1

InChI Key

XMUPUAWATDTBFP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12921908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

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

3.423

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.88

Polar Surface Area

65.365

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D486-0160 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 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 D486-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D486-0160?
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What is the minimum amount of D486-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D486-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D486-0160
  • 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 D486-0160 available by request