8561-08550 Screening compound: methyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8561-08550 Screening compound: methyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8561-08550 Screening compound: methyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08550
methyl 4-(2,5-dimethoxyphenyl)-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

8561-08550

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

methyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

methyl 13-(25-dimethoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc(cc2)OC)c2OC)=C1C(OC)=O

InChI

InChI=1S/C21H21N3O4/c1-12-18(20(25)28-4)19(14-11-13(26-2)9-10-17(14)27-3)24-16-8-6-5-7-15(16)23-21(24)22-12/h5-11,19H,1-4H3,(H,22,23)/t19-/m0/s1

InChI Key

FPGZGXVIRCWXGU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07469852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.28

Polar Surface Area

60.382

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8561-08550 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8561-08550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08550?
Check Price and Availability of 8561-08550, 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 8561-08550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08550
  • 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 8561-08550 available by request