4593-7468 Screening compound: 5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

4593-7468 Screening compound: 5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
4593-7468 Screening compound: 5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7468
5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-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

4593-7468

Molecular Formula

C19H15F5N2O4 (C19 H15 F5 N2 O4)

Compound Name

5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

IUPAC name

5-benzoyl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

OC(C(C(c(cc1)ccc1OC(F)F)N1)C(c2ccccc2)=O)(C(F)(F)F)NC1=O

InChI

InChI=1S/C19H15F5N2O4/c20-16(21)30-12-8-6-10(7-9-12)14-13(15(27)11-4-2-1-3-5-11)18(29,19(22,23)24)26-17(28)25-14/h1-9,13-14,16,29H,(H2,25,26,28)

InChI Key

YMQUCPIBEBAZSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.43

Polar Surface Area

73.227

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.30

4593-7468 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4593-7468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7468?
Check Price and Availability of 4593-7468, 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 4593-7468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7468
  • 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 4593-7468 available by request