4428-0297 Screening compound: 6-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

4428-0297 Screening compound: 6-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
4428-0297 Screening compound: 6-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0297
6-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-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

4428-0297

Molecular Formula

C20H18F4N2O5 (C20 H18 F4 N2 O5)

Compound Name

6-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

IUPAC name

6-(34-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

COc(ccc(C(C(C(C(F)(F)F)(N1)O)C(c(cc2)ccc2F)=O)NC1=O)c1)c1OC

InChI

InChI=1S/C20H18F4N2O5/c1-30-13-8-5-11(9-14(13)31-2)16-15(17(27)10-3-6-12(21)7-4-10)19(29,20(22,23)24)26-18(28)25-16/h3-9,15-16,29H,1-2H3,(H2,25,26,28)

InChI Key

SAKMJRLYVPELEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-3.03

Polar Surface Area

81.883

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4428-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0297?
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What is the minimum amount of 4428-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0297
  • 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 4428-0297 available by request