8016-0874 Screening compound: 6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O~4~-(2-chloro-6-fluorobenzyl)oxime

8016-0874 Screening compound: 6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O~4~-(2-chloro-6-fluorobenzyl)oxime
8016-0874 Screening compound: 6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O~4~-(2-chloro-6-fluorobenzyl)oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0874
6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O~4~-(2-chloro-6-fluorobenzyl)oxime

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

8016-0874

Molecular Formula

C13H11ClFN3O2 (C13 H11 ClFN3 O2)

Compound Name

6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O~4~-(2-chloro-6-fluorobenzyl)oxime

IUPAC name

(4E)-N-[(2-chloro-6-fluorophenyl)methoxy]-4567-tetrahydro-213-benzoxadiazol-4-imine

SMILES

Fc1cccc(Cl)c1CO/N=C1/c2nonc2CCC1

InChI

InChI=1S/C13H11ClFN3O2/c14-9-3-1-4-10(15)8(9)7-19-16-11-5-2-6-12-13(11)18-20-17-12/h1,3-4H,2,5-7H2

InChI Key

QXONGXTUJSXYKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.7

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

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.42

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

30.77

References: we are preparing a list of scientific research reports with 8016-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0874?
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What is the minimum amount of 8016-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0874
  • 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 8016-0874 available by request