C552-0155 Screening compound: 4-methoxybenzyl 4-(2-furyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C552-0155 Screening compound: 4-methoxybenzyl 4-(2-furyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C552-0155 Screening compound: 4-methoxybenzyl 4-(2-furyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C552-0155
4-methoxybenzyl 4-(2-furyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

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

C552-0155

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

4-methoxybenzyl 4-(2-furyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

(4-methoxyphenyl)methyl 13-(furan-2-yl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c2ccco2)=C1C(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C24H21N3O4/c1-15-21(23(28)31-14-16-9-11-17(29-2)12-10-16)22(20-8-5-13-30-20)27-19-7-4-3-6-18(19)26-24(27)25-15/h3-13,22H,14H2,1-2H3,(H,25,26)/t22-/m0/s1

InChI Key

DYQBPRBFMJVODN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14770129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.59

Polar Surface Area

61.014

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C552-0155 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C552-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C552-0155?
Check Price and Availability of C552-0155, 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 C552-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C552-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C552-0155
  • 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 C552-0155 available by request