D069-0213 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

D069-0213 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
D069-0213 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D069-0213
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

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

D069-0213

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c1noc(CCC(Nc2ccccc2)=O)n1

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)16-11-9-15(10-12-16)20-23-19(26-24-20)14-13-18(25)22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)

InChI Key

LQGNLOBMLRZUOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05692770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.32

Polar Surface Area

54.459

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D069-0213 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D069-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D069-0213?
Check Price and Availability of D069-0213, 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 D069-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D069-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D069-0213
  • 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 D069-0213 available by request