D101-0563 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide

D101-0563 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide
D101-0563 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0563
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)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

D101-0563

Molecular Formula

C19H18ClN3O4 (C19 H18 ClN3 O4)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide

SMILES

CC(C(NCc1nc(-c(cc2)ccc2Cl)no1)=O)Oc(cc1)ccc1OC

InChI

InChI=1S/C19H18ClN3O4/c1-12(26-16-9-7-15(25-2)8-10-16)19(24)21-11-17-22-18(23-27-17)13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1

InChI Key

QGXNJQUYYSBHCL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06753368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.53

Polar Surface Area

70.328

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D101-0563 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D101-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0563?
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What is the minimum amount of D101-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0563
  • 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 D101-0563 available by request