4568-7318 Screening compound: 2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

4568-7318 Screening compound: 2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
4568-7318 Screening compound: 2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7318
2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

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

4568-7318

Molecular Formula

C17H19ClFNO4 (C17 H19 ClFNO4)

Compound Name

2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

2-ethoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOCCOC(C(C(C1)c(c(F)ccc2)c2Cl)=C(C)NC1=O)=O

InChI

InChI=1S/C17H19ClFNO4/c1-3-23-7-8-24-17(22)15-10(2)20-14(21)9-11(15)16-12(18)5-4-6-13(16)19/h4-6,11H,3,7-9H2,1-2H3,(H,20,21)/t11-/m0/s1

InChI Key

FNHFBGUFAGDGIH-NSHDSACASA-N

MDL Number (MFCD)

MFCD03017636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.215

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-3.07

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 4568-7318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7318?
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What is the minimum amount of 4568-7318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7318
  • 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 4568-7318 available by request