7399-0159 Screening compound: N~2~-(4-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide

7399-0159 Screening compound: N~2~-(4-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide
7399-0159 Screening compound: N~2~-(4-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0159
N~2~-(4-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-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

7399-0159

Molecular Formula

C17H13ClN4O2 (C17 H13 ClN4 O2)

Compound Name

N~2~-(4-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide

IUPAC name

N-(4-chlorophenyl)-13-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-11-carboxamide

SMILES

O=C(C(C1)Nc2nc(cccc3)c3n2C1=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C17H13ClN4O2/c18-10-5-7-11(8-6-10)19-16(24)13-9-15(23)22-14-4-2-1-3-12(14)20-17(22)21-13/h1-8,13H,9H2,(H,19,24)(H,20,21)/t13-/m0/s1

InChI Key

MSQCLGRTDACFGF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05839398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.34

Polar Surface Area

62.051

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

7399-0159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7399-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0159?
Check Price and Availability of 7399-0159, 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 7399-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0159
  • 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 7399-0159 available by request