7695-1294 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

7695-1294 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide
7695-1294 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-1294
N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

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

7695-1294

Molecular Formula

C19H16N4O4 (C19 H16 N4 O4)

Compound Name

N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-11-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-13-carboxamide

SMILES

O=C(C(CC(N1)=O)n2c1nc1c2cccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C19H16N4O4/c24-17-10-14(23-13-4-2-1-3-12(13)21-19(23)22-17)18(25)20-11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9,14H,7-8,10H2,(H,20,25)(H,21,22,24)/t14-/m1/s1

InChI Key

MEGOGTOLMYHVST-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06193729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.103

Distribution Coefficient, logD

1.102

Water Solubility, LogSw

-2.09

Polar Surface Area

77.481

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

7695-1294 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 7695-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-1294?
Check Price and Availability of 7695-1294, 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 7695-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-1294
  • 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 7695-1294 available by request