2191-2800 Screening compound: 2,2,2-trichloroethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2191-2800 Screening compound: 2,2,2-trichloroethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2191-2800 Screening compound: 2,2,2-trichloroethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2800
2,2,2-trichloroethyl 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

2191-2800

Molecular Formula

C14H12Cl3FN2O3 (C14 H12 Cl3 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2F)=O)=C1C(OCC(Cl)(Cl)Cl)=O

InChI

InChI=1S/C14H12Cl3FN2O3/c1-7-10(12(21)23-6-14(15,16)17)11(20-13(22)19-7)8-2-4-9(18)5-3-8/h2-5,11H,6H2,1H3,(H2,19,20,22)/t11-/m0/s1

InChI Key

NQMKFZLAWDWOCA-NSHDSACASA-N

MDL Number (MFCD)

MFCD01193275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.62

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

2.699

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.55

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

References: we are preparing a list of scientific research reports with 2191-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2800?
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What is the minimum amount of 2191-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2800
  • 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 2191-2800 available by request