0718-0210 Screening compound: 2-(ethylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0718-0210 Screening compound: 2-(ethylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0718-0210 Screening compound: 2-(ethylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0718-0210
2-(ethylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-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

0718-0210

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

2-(ethylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

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

SMILES

CCSCCOC(C(C(c1cc([N+]([O-])=O)ccc1)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H19N3O5S/c1-3-25-8-7-24-15(20)13-10(2)17-16(21)18-14(13)11-5-4-6-12(9-11)19(22)23/h4-6,9,14H,3,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1

InChI Key

HJLNZUCMDYEXBK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00375632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.039

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.87

Polar Surface Area

90.121

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 0718-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0718-0210?
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What is the minimum amount of 0718-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0718-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0718-0210
  • 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 0718-0210 available by request