D069-0267 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)propanamide

D069-0267 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)propanamide
D069-0267 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D069-0267
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)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

D069-0267

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)propanamide

IUPAC name

3-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-(23-dimethylphenyl)propanamide

SMILES

Cc1cccc(NC(CCc2nc(-c(cc3)cc(OC)c3OC)no2)=O)c1C

InChI

InChI=1S/C21H23N3O4/c1-13-6-5-7-16(14(13)2)22-19(25)10-11-20-23-21(24-28-20)15-8-9-17(26-3)18(12-15)27-4/h5-9,12H,10-11H2,1-4H3,(H,22,25)

InChI Key

MXTHKYJFMNAGCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05696439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

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

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.13

Polar Surface Area

69.022

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D069-0267 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with D069-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D069-0267?
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What is the minimum amount of D069-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D069-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D069-0267
  • 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 D069-0267 available by request