8525-0874 Screening compound: isopropyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8525-0874 Screening compound: isopropyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8525-0874 Screening compound: isopropyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0874
isopropyl 4-(4-hydroxy-3,5-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

8525-0874

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

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

IUPAC name

propan-2-yl 13-(4-hydroxy-35-dimethoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxylate

SMILES

CC(C)OC(C1=C(C)Nc2nc(cccc3)c3n2C1c(cc1OC)cc(OC)c1O)=O

InChI

InChI=1S/C23H25N3O5/c1-12(2)31-22(28)19-13(3)24-23-25-15-8-6-7-9-16(15)26(23)20(19)14-10-17(29-4)21(27)18(11-14)30-5/h6-12,20,27H,1-5H3,(H,24,25)/t20-/m0/s1

InChI Key

CTQHSWPIUKNCFG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08076264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.02

Polar Surface Area

75.207

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8525-0874 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8525-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0874?
Check Price and Availability of 8525-0874, 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 8525-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0874
  • 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 8525-0874 available by request