8010-6560 Screening compound: 2-chloro-N-{3-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline

8010-6560 Screening compound: 2-chloro-N-{3-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline
8010-6560 Screening compound: 2-chloro-N-{3-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6560
2-chloro-N-{3-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline

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

8010-6560

Molecular Formula

C12H13ClN4O4 (C12 H13 ClN4 O4)

Compound Name

2-chloro-N-{3-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline

IUPAC name

2-chloro-N-{3-[(4-methyl-125-oxadiazol-3-yl)oxy]propyl}-4-nitroaniline

SMILES

Cc1nonc1OCCCNc(ccc([N+]([O-])=O)c1)c1Cl

InChI

InChI=1S/C12H13ClN4O4/c1-8-12(16-21-15-8)20-6-2-5-14-11-4-3-9(17(18)19)7-10(11)13/h3-4,7,14H,2,5-6H2,1H3

InChI Key

JMDGWNZNEMVRMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.75

Polar Surface Area

87.368

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8010-6560 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 8010-6560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6560?
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What is the minimum amount of 8010-6560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6560
  • 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 8010-6560 available by request