3999-6381 Screening compound: 2-phenylethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3999-6381 Screening compound: 2-phenylethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3999-6381 Screening compound: 2-phenylethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3999-6381
2-phenylethyl 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

3999-6381

Molecular Formula

C20H19FN2O3 (C20 H19 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2F)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C20H19FN2O3/c1-13-17(19(24)26-12-11-14-5-3-2-4-6-14)18(23-20(25)22-13)15-7-9-16(21)10-8-15/h2-10,18H,11-12H2,1H3,(H2,22,23,25)/t18-/m0/s1

InChI Key

NNAMFJYNIMWPJW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01192522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.30

Polar Surface Area

56.468

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3999-6381 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3999-6381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3999-6381?
Check Price and Availability of 3999-6381, 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 3999-6381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3999-6381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3999-6381
  • 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 3999-6381 available by request