8561-08574 Screening compound: ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8561-08574 Screening compound: ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8561-08574 Screening compound: ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08574
ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-propyl-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

8561-08574

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc1nc(cccc2)c2n1C1c(cc2)cc(OC)c2O)=C1C(OCC)=O

InChI

InChI=1S/C23H25N3O4/c1-4-8-16-20(22(28)30-5-2)21(14-11-12-18(27)19(13-14)29-3)26-17-10-7-6-9-15(17)24-23(26)25-16/h6-7,9-13,21,27H,4-5,8H2,1-3H3,(H,24,25)/t21-/m0/s1

InChI Key

DOERXJAVWBCVIS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07469879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.09

Polar Surface Area

69.573

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8561-08574 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8561-08574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08574?
Check Price and Availability of 8561-08574, 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 8561-08574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08574
  • 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 8561-08574 available by request