8563-0808 Screening compound: 2-methoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8563-0808 Screening compound: 2-methoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8563-0808 Screening compound: 2-methoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0808
2-methoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-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

8563-0808

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

2-methoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

2-methoxyethyl 13-(4-hydroxy-3-methoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)cc(OC)c2O)=C1C(OCCOC)=O

InChI

InChI=1S/C22H23N3O5/c1-13-19(21(27)30-11-10-28-2)20(14-8-9-17(26)18(12-14)29-3)25-16-7-5-4-6-15(16)24-22(25)23-13/h4-9,12,20,26H,10-11H2,1-3H3,(H,23,24)/t20-/m0/s1

InChI Key

DFNFWTWNLDULMG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08088629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-2.93

Polar Surface Area

77.603

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8563-0808 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8563-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0808?
Check Price and Availability of 8563-0808, 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 8563-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0808
  • 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 8563-0808 available by request