8629-0186 Screening compound: N~1~-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-2-yl)-3-methylbenzamide

8629-0186 Screening compound: N~1~-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-2-yl)-3-methylbenzamide
8629-0186 Screening compound: N~1~-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-2-yl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0186
N~1~-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-2-yl)-3-methylbenzamide

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

8629-0186

Molecular Formula

C20H14N4O2 (C20 H14 N4 O2)

Compound Name

N~1~-(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-2-yl)-3-methylbenzamide

IUPAC name

N-{10-cyano-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaen-12-yl}-3-methylbenzamide

SMILES

Cc1cccc(C(NC2=CC(C#N)=C(Nc3c4cccc3)N4C2=O)=O)c1

InChI

InChI=1S/C20H14N4O2/c1-12-5-4-6-13(9-12)19(25)23-16-10-14(11-21)18-22-15-7-2-3-8-17(15)24(18)20(16)26/h2-10,22H,1H3,(H,23,25)

InChI Key

VSUXLCAREPYDBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

1.131

Water Solubility, LogSw

-2.95

Polar Surface Area

67.614

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8629-0186 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8629-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0186?
Check Price and Availability of 8629-0186, 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 8629-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0186
  • 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 8629-0186 available by request