C066-5690 Screening compound: ethyl 2-{1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate

C066-5690 Screening compound: ethyl 2-{1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate
C066-5690 Screening compound: ethyl 2-{1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5690
ethyl 2-{1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate

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

C066-5690

Molecular Formula

C17H16N4O4 (C17 H16 N4 O4)

Compound Name

ethyl 2-{1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate

IUPAC name

ethyl 2-{1-methyl-24-dioxo-7-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl}acetate

SMILES

CCOC(CN(C(c1c(N2C)nc(-c3ccccc3)nc1)=O)C2=O)=O

InChI

InChI=1S/C17H16N4O4/c1-3-25-13(22)10-21-16(23)12-9-18-14(11-7-5-4-6-8-11)19-15(12)20(2)17(21)24/h4-9H,3,10H2,1-2H3

InChI Key

QMSZLYZOPMPNBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.111

Water Solubility, LogSw

-2.76

Polar Surface Area

71.839

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C066-5690 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-5690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5690?
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What is the minimum amount of C066-5690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5690
  • 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 C066-5690 available by request