3999-6349 Screening compound: 2-phenoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3999-6349 Screening compound: 2-phenoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3999-6349 Screening compound: 2-phenoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3999-6349
2-phenoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-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

3999-6349

Molecular Formula

C20H19FN2O4 (C20 H19 FN2 O4)

Compound Name

2-phenoxyethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2F)=O)=C1C(OCCOc1ccccc1)=O

InChI

InChI=1S/C20H19FN2O4/c1-13-17(19(24)27-12-11-26-16-5-3-2-4-6-16)18(23-20(25)22-13)14-7-9-15(21)10-8-14/h2-10,18H,11-12H2,1H3,(H2,22,23,25)/t18-/m0/s1

InChI Key

TZBVQJSTDDDFND-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01192887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.38

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

2.563

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.91

Polar Surface Area

63.886

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3999-6349 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3999-6349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3999-6349?
Check Price and Availability of 3999-6349, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3999-6349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3999-6349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3999-6349
  • 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 3999-6349 available by request