8006-9331 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8006-9331 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8006-9331 Screening compound: ethyl 4-[2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9331
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)phenyl]-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

8006-9331

Molecular Formula

C18H22N2O6 (C18 H22 N2 O6)

Compound Name

ethyl 4-[2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

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

SMILES

CCOC(COc1c(C(C(C(OCC)=O)=C(C)N2)NC2=O)cccc1)=O

InChI

InChI=1S/C18H22N2O6/c1-4-24-14(21)10-26-13-9-7-6-8-12(13)16-15(17(22)25-5-2)11(3)19-18(23)20-16/h6-9,16H,4-5,10H2,1-3H3,(H2,19,20,23)/t16-/m1/s1

InChI Key

GLKNVPGFDMIQEM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00827418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.682

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-2.14

Polar Surface Area

84.190

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

8006-9331 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8006-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9331?
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What is the minimum amount of 8006-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9331
  • 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 8006-9331 available by request