7399-0158 Screening compound: N~2~-(2-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide

7399-0158 Screening compound: N~2~-(2-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide
7399-0158 Screening compound: N~2~-(2-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0158
N~2~-(2-methoxyphenyl)-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

7399-0158

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(C(C1)Nc2nc(cccc3)c3n2C1=O)=O

InChI

InChI=1S/C18H16N4O3/c1-25-15-9-5-3-7-12(15)19-17(24)13-10-16(23)22-14-8-4-2-6-11(14)20-18(22)21-13/h2-9,13H,10H2,1H3,(H,19,24)(H,20,21)/t13-/m1/s1

InChI Key

GYPOQVLMUYHGPZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05839397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.44

Polar Surface Area

68.984

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

7399-0158 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleic Acid Ligands (8311 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7399-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0158?
Check Price and Availability of 7399-0158, 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 7399-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0158
  • 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 7399-0158 available by request