4428-0269 Screening compound: 5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-1,3-diazinan-2-one

4428-0269 Screening compound: 5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-1,3-diazinan-2-one
4428-0269 Screening compound: 5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0269
5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-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

4428-0269

Molecular Formula

C21H20ClF3N2O3 (C21 H20 ClF3 N2 O3)

Compound Name

5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-1,3-diazinan-2-one

IUPAC name

5-(4-chlorobenzoyl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

CC(C)c1ccc(C(C(C(C(F)(F)F)(N2)O)C(c(cc3)ccc3Cl)=O)NC2=O)cc1

InChI

InChI=1S/C21H20ClF3N2O3/c1-11(2)12-3-5-13(6-4-12)17-16(18(28)14-7-9-15(22)10-8-14)20(30,21(23,24)25)27-19(29)26-17/h3-11,16-17,30H,1-2H3,(H2,26,27,29)

InChI Key

GUXHSSDEXOEKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.93

Polar Surface Area

66.622

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4428-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0269?
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What is the minimum amount of 4428-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0269
  • 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 4428-0269 available by request