7591-0086 Screening compound: 2-(2-methylpropyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

7591-0086 Screening compound: 2-(2-methylpropyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
7591-0086 Screening compound: 2-(2-methylpropyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0086
2-(2-methylpropyl)-6-(morpholin-4-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

7591-0086

Molecular Formula

C13H17F6N3O2 (C13 H17 F6 N3 O2)

Compound Name

2-(2-methylpropyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

IUPAC name

2-(2-methylpropyl)-6-(morpholin-4-yl)-44-bis(trifluoromethyl)-4H-135-oxadiazine

SMILES

CC(C)CC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1

InChI

InChI=1S/C13H17F6N3O2/c1-8(2)7-9-20-11(12(14,15)16,13(17,18)19)21-10(24-9)22-3-5-23-6-4-22/h8H,3-7H2,1-2H3

InChI Key

CICSZUNRQCBNER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.29

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

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.01

Polar Surface Area

38.679

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.60

7591-0086 in Drug Discovery

Included in Screening Libraries

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 7591-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0086?
Check Price and Availability of 7591-0086, 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 7591-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0086
  • 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 7591-0086 available by request