8009-0462 Screening compound: 2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8009-0462 Screening compound: 2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8009-0462 Screening compound: 2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0462
2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8009-0462

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCSCCOC(C(C(c1cc(O)ccc1)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H20N2O4S/c1-3-23-8-7-22-15(20)13-10(2)17-16(21)18-14(13)11-5-4-6-12(19)9-11/h4-6,9,14,19H,3,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1

InChI Key

GDOHSRZSQVNKNA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01193096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-2.22

Polar Surface Area

74.356

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8009-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0462?
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What is the minimum amount of 8009-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0462
  • 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 8009-0462 available by request