2576-4146 Screening compound: 2,2,2-trifluoroethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2576-4146 Screening compound: 2,2,2-trifluoroethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2576-4146 Screening compound: 2,2,2-trifluoroethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2576-4146
2,2,2-trifluoroethyl 4-[4-(benzyloxy)phenyl]-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

2576-4146

Molecular Formula

C21H19F3N2O4 (C21 H19 F3 N2 O4)

Compound Name

2,2,2-trifluoroethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

222-trifluoroethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2OCc2ccccc2)=O)=C1C(OCC(F)(F)F)=O

InChI

InChI=1S/C21H19F3N2O4/c1-13-17(19(27)30-12-21(22,23)24)18(26-20(28)25-13)15-7-9-16(10-8-15)29-11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H2,25,26,28)/t18-/m0/s1

InChI Key

SSAXTTOUPTXUBY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01192574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.48

Polar Surface Area

64.048

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2576-4146 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2576-4146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2576-4146?
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What is the minimum amount of 2576-4146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2576-4146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2576-4146
  • 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 2576-4146 available by request