5096-1373 Screening compound: 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

5096-1373 Screening compound: 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
5096-1373 Screening compound: 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5096-1373
5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-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

5096-1373

Molecular Formula

C21H21F3N2O5 (C21 H21 F3 N2 O5)

Compound Name

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

IUPAC name

5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

CCOc(ccc(C(C(C(C(F)(F)F)(N1)O)C(c2ccccc2)=O)NC1=O)c1)c1OC

InChI

InChI=1S/C21H21F3N2O5/c1-3-31-14-10-9-13(11-15(14)30-2)17-16(18(27)12-7-5-4-6-8-12)20(29,21(22,23)24)26-19(28)25-17/h4-11,16-17,29H,3H2,1-2H3,(H2,25,26,28)

InChI Key

QHSNTKCALOCZCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02730838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.23

Polar Surface Area

81.463

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 5096-1373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5096-1373?
Check Price and Availability of 5096-1373, 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 5096-1373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5096-1373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5096-1373
  • 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 5096-1373 available by request