D718-1129 Screening compound: ethyl 1-(3-methoxypropyl)-2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

D718-1129 Screening compound: ethyl 1-(3-methoxypropyl)-2-oxo-4-(3-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
D718-1129 Screening compound: ethyl 1-(3-methoxypropyl)-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 D718-1129
ethyl 1-(3-methoxypropyl)-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

D718-1129

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

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

IUPAC name

ethyl 10-(3-methoxypropyl)-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(N2CCCOC)nc3c1cccc3)C2=O)=O

InChI

InChI=1S/C22H24N4O4/c1-3-30-21(28)18-19(15-8-6-11-23-14-15)26-17-10-5-4-9-16(17)24-22(26)25(20(18)27)12-7-13-29-2/h4-6,8-11,14,18-19H,3,7,12-13H2,1-2H3

InChI Key

WUBBLBGAYSLYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10479436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.04

Polar Surface Area

64.684

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

D718-1129 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D718-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1129?
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What is the minimum amount of D718-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1129
  • 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 D718-1129 available by request