2226-0464 Screening compound: 2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-(4-methoxyphenyl)-1-ethanone

2226-0464 Screening compound: 2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-(4-methoxyphenyl)-1-ethanone
2226-0464 Screening compound: 2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2226-0464
2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-(4-methoxyphenyl)-1-ethanone

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

2226-0464

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-(4-methoxyphenyl)-1-ethanone

IUPAC name

1-(4-methoxyphenyl)-2-{1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)359-tetraen-8-yl}ethan-1-one

SMILES

COc(cc1)ccc1C(CN1C2=NCCCN2c2c1cccc2)=O

InChI

InChI=1S/C19H19N3O2/c1-24-15-9-7-14(8-10-15)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22/h2-3,5-10H,4,11-13H2,1H3

InChI Key

INCJINKWJOGPEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055116

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

-1.047

Water Solubility, LogSw

-3.47

Polar Surface Area

36.276

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

11.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2226-0464 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2226-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2226-0464?
Check Price and Availability of 2226-0464, 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 2226-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2226-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2226-0464
  • 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 2226-0464 available by request