8019-1105 Screening compound: 3-methyl-N~1~-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl]butanamide

8019-1105 Screening compound: 3-methyl-N~1~-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl]butanamide
8019-1105 Screening compound: 3-methyl-N~1~-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1105
3-methyl-N~1~-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl]butanamide

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

8019-1105

Molecular Formula

C20H30F6N2O2 (C20 H30 F6 N2 O2)

Compound Name

3-methyl-N~1~-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl]butanamide

IUPAC name

n/a

SMILES

CC(C)CC(NC(C(F)(F)F)(C(F)(F)F)C(C(CC(C)(C)C1)=O)=C1NCC(C)C)=O

InChI

InChI=1S/C20H30F6N2O2/c1-11(2)7-15(30)28-18(19(21,22)23,20(24,25)26)16-13(27-10-12(3)4)8-17(5,6)9-14(16)29/h11-12,27H,7-10H2,1-6H3,(H,28,30)

InChI Key

GLJISNUPBOMZPZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

-3.328

Water Solubility, LogSw

-4.58

Polar Surface Area

47.856

Acid Dissociation Constant (pKa)

0.43

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with 8019-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1105?
Check Price and Availability of 8019-1105, 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 8019-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1105
  • 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 8019-1105 available by request