8013-5675 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

8013-5675 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
8013-5675 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5675
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

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

8013-5675

Molecular Formula

C21H22N6O4 (C21 H22 N6 O4)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(Cn1c(-c2nonc2N)nc2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C21H22N6O4/c1-29-16-8-7-13(11-17(16)30-2)9-10-23-18(28)12-27-15-6-4-3-5-14(15)24-21(27)19-20(22)26-31-25-19/h3-8,11H,9-10,12H2,1-2H3,(H2,22,26)(H,23,28)

InChI Key

BJPFAUBYKPJOIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-2.86

Polar Surface Area

106.554

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8013-5675 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-5675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5675?
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What is the minimum amount of 8013-5675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5675
  • 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 8013-5675 available by request