8008-4187 Screening compound: 2-(2-furyl)-6-piperidino-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

8008-4187 Screening compound: 2-(2-furyl)-6-piperidino-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
8008-4187 Screening compound: 2-(2-furyl)-6-piperidino-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4187
2-(2-furyl)-6-piperidino-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

8008-4187

Molecular Formula

C14H13F6N3O2 (C14 H13 F6 N3 O2)

Compound Name

2-(2-furyl)-6-piperidino-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

IUPAC name

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

SMILES

FC(C1(C(F)(F)F)N=C(N2CCCCC2)OC(c2ccco2)=N1)(F)F

InChI

InChI=1S/C14H13F6N3O2/c15-13(16,17)12(14(18,19)20)21-10(9-5-4-8-24-9)25-11(22-12)23-6-2-1-3-7-23/h4-5,8H,1-3,6-7H2

InChI Key

GKMYPQJMTAMKOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00789369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.12

Polar Surface Area

38.931

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

8008-4187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8008-4187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4187?
Check Price and Availability of 8008-4187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-4187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4187
  • 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 8008-4187 available by request