8008-5177 Screening compound: tetrahydro-2-furanylmethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8008-5177 Screening compound: tetrahydro-2-furanylmethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8008-5177 Screening compound: tetrahydro-2-furanylmethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5177
tetrahydro-2-furanylmethyl 4-(4-ethoxyphenyl)-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

8008-5177

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

tetrahydro-2-furanylmethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

(oxolan-2-yl)methyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1ccc(C(C(C(OCC2OCCC2)=O)=C(C)N2)NC2=O)cc1

InChI

InChI=1S/C19H24N2O5/c1-3-24-14-8-6-13(7-9-14)17-16(12(2)20-19(23)21-17)18(22)26-11-15-5-4-10-25-15/h6-9,15,17H,3-5,10-11H2,1-2H3,(H2,20,21,23)

InChI Key

ZFRMLWUSBKIYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01192465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.491

Distribution Coefficient, logD

1.340

Water Solubility, LogSw

-2.04

Polar Surface Area

72.327

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

8008-5177 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5177?
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What is the minimum amount of 8008-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5177
  • 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 8008-5177 available by request