2786-4562 Screening compound: 2,2,2-trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2786-4562 Screening compound: 2,2,2-trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2786-4562 Screening compound: 2,2,2-trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4562
2,2,2-trifluoroethyl 4-(3-chlorophenyl)-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

2786-4562

Molecular Formula

C14H12ClF3N2O3 (C14 H12 ClF3 N2 O3)

Compound Name

2,2,2-trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

222-trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cccc(Cl)c2)=O)=C1C(OCC(F)(F)F)=O

InChI

InChI=1S/C14H12ClF3N2O3/c1-7-10(12(21)23-6-14(16,17)18)11(20-13(22)19-7)8-3-2-4-9(15)5-8/h2-5,11H,6H2,1H3,(H2,19,20,22)/t11-/m0/s1

InChI Key

FFNQJKIDNJPEHX-NSHDSACASA-N

MDL Number (MFCD)

MFCD01192373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-3.40

Polar Surface Area

56.821

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

2786-4562 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2786-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4562?
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What is the minimum amount of 2786-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4562
  • 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 2786-4562 available by request