D069-0218 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide

D069-0218 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
D069-0218 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D069-0218
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)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

D069-0218

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

3-[3-(4-tert-butylphenyl)-124-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide

SMILES

CC(C)(C)c(cc1)ccc1-c1noc(CCC(Nc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C22H25N3O3/c1-22(2,3)16-11-9-15(10-12-16)21-24-20(28-25-21)14-13-19(26)23-17-7-5-6-8-18(17)27-4/h5-12H,13-14H2,1-4H3,(H,23,26)

InChI Key

DYGXGWPEELYKIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05701959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.14

Polar Surface Area

61.392

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D069-0218 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 D069-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D069-0218?
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What is the minimum amount of D069-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D069-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D069-0218
  • 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 D069-0218 available by request