8010-6563 Screening compound: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2,4-dinitroaniline

8010-6563 Screening compound: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2,4-dinitroaniline
8010-6563 Screening compound: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2,4-dinitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6563
N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2,4-dinitroaniline

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

8010-6563

Molecular Formula

C11H11N5O6 (C11 H11 N5 O6)

Compound Name

N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2,4-dinitroaniline

IUPAC name

N-{2-[(4-methyl-125-oxadiazol-3-yl)oxy]ethyl}-24-dinitroaniline

SMILES

Cc1nonc1OCCNc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C11H11N5O6/c1-7-11(14-22-13-7)21-5-4-12-9-3-2-8(15(17)18)6-10(9)16(19)20/h2-3,6,12H,4-5H2,1H3

InChI Key

BNBXQUXYADJGKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00404430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.24

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.38

Polar Surface Area

120.449

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8010-6563 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 8010-6563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6563?
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What is the minimum amount of 8010-6563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6563
  • 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 8010-6563 available by request