1901-0009 Screening compound: 2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1901-0009 Screening compound: 2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1901-0009 Screening compound: 2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1901-0009
2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-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

1901-0009

Molecular Formula

C24H28N2O4S (C24 H28 N2 O4 S)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCSCCOC(C(C(c(cccc1)c1OCc1ccccc1)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C24H28N2O4S/c1-4-31-15-14-29-23(27)21-17(2)26(3)24(28)25-22(21)19-12-8-9-13-20(19)30-16-18-10-6-5-7-11-18/h5-13,22H,4,14-16H2,1-3H3,(H,25,28)/t22-/m0/s1

InChI Key

JLCDIOZXYKVTEB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00787783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.53

Polar Surface Area

56.037

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1901-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1901-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1901-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1901-0009
  • 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 1901-0009 available by request