2398-3456 Screening compound: 2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

2398-3456 Screening compound: 2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
2398-3456 Screening compound: 2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3456
2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

2398-3456

Molecular Formula

C16H19FN2O4 (C16 H19 FN2 O4)

Compound Name

2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

2-ethoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOCCOC(C(C(c(cc1)ccc1F)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H19FN2O4/c1-3-22-8-9-23-15(20)13-10(2)18-16(21)19-14(13)11-4-6-12(17)7-5-11/h4-7,14H,3,8-9H2,1-2H3,(H2,18,19,21)/t14-/m0/s1

InChI Key

GEDTULYXCLNAJT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01193682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

1.159

Water Solubility, LogSw

-1.97

Polar Surface Area

64.717

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 2398-3456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3456?
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What is the minimum amount of 2398-3456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3456
  • 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 2398-3456 available by request