8012-7224 Screening compound: (4E)-N-[(2,4-dichlorophenyl)methoxy]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-imine

8012-7224 Screening compound: (4E)-N-[(2,4-dichlorophenyl)methoxy]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-imine
8012-7224 Screening compound: (4E)-N-[(2,4-dichlorophenyl)methoxy]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7224
(4E)-N-[(2,4-dichlorophenyl)methoxy]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-imine

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

8012-7224

Molecular Formula

C13H11Cl2N3O2 (C13 H11 Cl2 N3 O2)

Compound Name

(4E)-N-[(2,4-dichlorophenyl)methoxy]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-imine

IUPAC name

(4E)-N-[(24-dichlorophenyl)methoxy]-4567-tetrahydro-213-benzoxadiazol-4-imine

SMILES

Clc1cc(Cl)c(CO/N=C2/c3nonc3CCC2)cc1

InChI

InChI=1S/C13H11Cl2N3O2/c14-9-5-4-8(10(15)6-9)7-19-16-11-2-1-3-12-13(11)18-20-17-12/h4-6H,1-3,7H2

InChI Key

OGOZHRMMRWIEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.97

Polar Surface Area

57.081

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8012-7224 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7224?
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What is the minimum amount of 8012-7224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7224
  • 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 8012-7224 available by request