8012-8873 Screening compound: 2-(2-methoxyphenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

8012-8873 Screening compound: 2-(2-methoxyphenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
8012-8873 Screening compound: 2-(2-methoxyphenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8873
2-(2-methoxyphenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

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

8012-8873

Molecular Formula

C17H17F6N3O2 (C17 H17 F6 N3 O2)

Compound Name

2-(2-methoxyphenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

IUPAC name

2-(2-methoxyphenyl)-6-(piperidin-1-yl)-44-bis(trifluoromethyl)-4H-135-oxadiazine

SMILES

COc(cccc1)c1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1

InChI

InChI=1S/C17H17F6N3O2/c1-27-12-8-4-3-7-11(12)13-24-15(16(18,19)20,17(21,22)23)25-14(28-13)26-9-5-2-6-10-26/h3-4,7-8H,2,5-6,9-10H2,1H3

InChI Key

VCQWEMCHFMHPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03067333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-4.03

Polar Surface Area

37.983

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 8012-8873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8873?
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What is the minimum amount of 8012-8873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8873
  • 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 8012-8873 available by request