D718-0231 Screening compound: ethyl 2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

D718-0231 Screening compound: ethyl 2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
D718-0231 Screening compound: ethyl 2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0231
ethyl 2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-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

D718-0231

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

ethyl 2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

ethyl 11-oxo-13-(pyridin-3-yl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-12-carboxylate

SMILES

CCOC(C(C(c1cnccc1)n1c(N2)nc3c1cccc3)C2=O)=O

InChI

InChI=1S/C18H16N4O3/c1-2-25-17(24)14-15(11-6-5-9-19-10-11)22-13-8-4-3-7-12(13)20-18(22)21-16(14)23/h3-10,14-15H,2H2,1H3,(H,20,21,23)

InChI Key

CLBDJABORQEHMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.909

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-1.89

Polar Surface Area

68.448

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

D718-0231 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

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

DGK Inhibitors Library (10558 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D718-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0231?
Check Price and Availability of D718-0231, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D718-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0231
  • 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 D718-0231 available by request