D718-0572 Screening compound: methyl 2-(2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl)acetate

D718-0572 Screening compound: methyl 2-(2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl)acetate
D718-0572 Screening compound: methyl 2-(2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0572
methyl 2-(2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-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

D718-0572

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

methyl 2-(2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-3-yl)acetate

IUPAC name

methyl 2-{11-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-12-yl}acetate

SMILES

COC(CC(Cn1c(N2)nc3c1cccc3)C2=O)=O

InChI

InChI=1S/C13H13N3O3/c1-19-11(17)6-8-7-16-10-5-3-2-4-9(10)14-13(16)15-12(8)18/h2-5,8H,6-7H2,1H3,(H,14,15,18)/t8-/m0/s1

InChI Key

IWHJZOVMMRMTHA-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD11082690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.206

Distribution Coefficient, logD

1.206

Water Solubility, LogSw

-1.87

Polar Surface Area

58.137

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D718-0572 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D718-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0572?
Check Price and Availability of D718-0572, 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 D718-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0572
  • 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 D718-0572 available by request