D101-0521 Screening compound: 2,3-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

D101-0521 Screening compound: 2,3-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
D101-0521 Screening compound: 2,3-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0521
2,3-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

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

D101-0521

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

2,3-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

IUPAC name

23-dimethoxy-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]benzamide

SMILES

COc1cccc(C(NCc2nc(-c3ccccc3)no2)=O)c1OC

InChI

InChI=1S/C18H17N3O4/c1-23-14-10-6-9-13(16(14)24-2)18(22)19-11-15-20-17(21-25-15)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,19,22)

InChI Key

DBQNROLRFSUSLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

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

3.385

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.90

Polar Surface Area

71.342

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D101-0521 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D101-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0521?
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What is the minimum amount of D101-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0521
  • 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 D101-0521 available by request