D069-0229 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide

D069-0229 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
D069-0229 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D069-0229
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide

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

D069-0229

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide

IUPAC name

3-[3-(4-tert-butylphenyl)-124-oxadiazol-5-yl]-N-propylpropanamide

SMILES

CCCNC(CCc1nc(-c2ccc(C(C)(C)C)cc2)no1)=O

InChI

InChI=1S/C18H25N3O2/c1-5-12-19-15(22)10-11-16-20-17(21-23-16)13-6-8-14(9-7-13)18(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,19,22)

InChI Key

VPGOUCNROOWYHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.12

Polar Surface Area

55.894

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D069-0229 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 D069-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D069-0229?
Check Price and Availability of D069-0229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D069-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D069-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D069-0229
  • 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 D069-0229 available by request