2191-2747 Screening compound: 2-(methylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2191-2747 Screening compound: 2-(methylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2191-2747 Screening compound: 2-(methylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2747
2-(methylsulfanyl)ethyl 4-[2-(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

2191-2747

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cccc2)c2OCc2ccccc2)=O)=C1C(OCCSC)=O

InChI

InChI=1S/C22H24N2O4S/c1-15-19(21(25)27-12-13-29-2)20(24-22(26)23-15)17-10-6-7-11-18(17)28-14-16-8-4-3-5-9-16/h3-11,20H,12-14H2,1-2H3,(H2,23,24,26)/t20-/m0/s1

InChI Key

OAPFFNVLXQTFPA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01193630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.74

Polar Surface Area

64.054

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

2191-2747 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 2191-2747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2747?
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What is the minimum amount of 2191-2747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2747
  • 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 2191-2747 available by request