8525-0894 Screening compound: 2-methoxyethyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8525-0894 Screening compound: 2-methoxyethyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8525-0894 Screening compound: 2-methoxyethyl 4-(3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0894
2-methoxyethyl 4-(3-fluorophenyl)-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

8525-0894

Molecular Formula

C21H20FN3O3 (C21 H20 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(cccc2)c2n1C1c2cccc(F)c2)=C1C(OCCOC)=O

InChI

InChI=1S/C21H20FN3O3/c1-13-18(20(26)28-11-10-27-2)19(14-6-5-7-15(22)12-14)25-17-9-4-3-8-16(17)24-21(25)23-13/h3-9,12,19H,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1

InChI Key

FVHWKMRKNXKKBR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08076284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.66

Polar Surface Area

53.424

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8525-0894 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8525-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0894?
Check Price and Availability of 8525-0894, 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 8525-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0894
  • 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 8525-0894 available by request