C066-4723 Screening compound: ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C066-4723 Screening compound: ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
C066-4723 Screening compound: ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4723
ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[2,3-d]pyrimidine-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

C066-4723

Molecular Formula

C16H21N3O6 (C16 H21 N3 O6)

Compound Name

ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-[(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)amino]-6-methylfuro[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(C(C(C)O)Nc1c(c(C(OCC)=O)c(C)o2)c2ncn1)=O

InChI

InChI=1S/C16H21N3O6/c1-5-23-15(21)10-9(4)25-14-11(10)13(17-7-18-14)19-12(8(3)20)16(22)24-6-2/h7-8,12,20H,5-6H2,1-4H3,(H,17,18,19)

InChI Key

OMUYGDIEJRMIBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-1.87

Polar Surface Area

96.185

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C066-4723 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-4723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4723?
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What is the minimum amount of C066-4723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4723
  • 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 C066-4723 available by request