5055-5986 Screening compound: 5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

5055-5986 Screening compound: 5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
5055-5986 Screening compound: 5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-5986
5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

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

5055-5986

Molecular Formula

C21H21F3N2O6 (C21 H21 F3 N2 O6)

Compound Name

5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

IUPAC name

5-benzoyl-4-hydroxy-4-(trifluoromethyl)-6-(345-trimethoxyphenyl)-13-diazinan-2-one

SMILES

COc1cc(C(C(C(C(F)(F)F)(N2)O)C(c3ccccc3)=O)NC2=O)cc(OC)c1OC

InChI

InChI=1S/C21H21F3N2O6/c1-30-13-9-12(10-14(31-2)18(13)32-3)16-15(17(27)11-7-5-4-6-8-11)20(29,21(22,23)24)26-19(28)25-16/h4-10,15-16,29H,1-3H3,(H2,25,26,28)

InChI Key

YCKJNMILXDCOQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-3.21

Polar Surface Area

89.600

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 5055-5986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-5986?
Check Price and Availability of 5055-5986, 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 5055-5986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-5986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-5986
  • 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 5055-5986 available by request