4618-0145 Screening compound: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

4618-0145 Screening compound: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
4618-0145 Screening compound: 5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4618-0145
5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-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

4618-0145

Molecular Formula

C18H13ClF4N2O3 (C18 H13 ClF4 N2 O3)

Compound Name

5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

IUPAC name

5-(4-chlorobenzoyl)-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

OC(C(C(c(cc1)ccc1F)N1)C(c(cc2)ccc2Cl)=O)(C(F)(F)F)NC1=O

InChI

InChI=1S/C18H13ClF4N2O3/c19-11-5-1-10(2-6-11)15(26)13-14(9-3-7-12(20)8-4-9)24-16(27)25-17(13,28)18(21,22)23/h1-8,13-14,28H,(H2,24,25,27)

InChI Key

DJBWFJHVCRDNDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-4.11

Polar Surface Area

66.622

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4618-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0145?
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What is the minimum amount of 4618-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0145
  • 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 4618-0145 available by request