D134-0528 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide

D134-0528 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
D134-0528 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D134-0528
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide

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

D134-0528

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide

IUPAC name

4-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide

SMILES

COc(ccc(-c1noc(CCCC(NCCc2ccccc2)=O)n1)c1)c1OC

InChI

InChI=1S/C22H25N3O4/c1-27-18-12-11-17(15-19(18)28-2)22-24-21(29-25-22)10-6-9-20(26)23-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,23,26)

InChI Key

YSQBHMPQCSQMJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06600810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.46

Polar Surface Area

70.884

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

D134-0528 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D134-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D134-0528?
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What is the minimum amount of D134-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D134-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D134-0528
  • 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 D134-0528 available by request