8563-0804 Screening compound: 2-methoxyethyl 2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8563-0804 Screening compound: 2-methoxyethyl 2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8563-0804 Screening compound: 2-methoxyethyl 2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0804
2-methoxyethyl 2-methyl-4-phenyl-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

8563-0804

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

2-methoxyethyl 2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

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

SMILES

CC(Nc1nc(cccc2)c2n1C1c2ccccc2)=C1C(OCCOC)=O

InChI

InChI=1S/C21H21N3O3/c1-14-18(20(25)27-13-12-26-2)19(15-8-4-3-5-9-15)24-17-11-7-6-10-16(17)23-21(24)22-14/h3-11,19H,12-13H2,1-2H3,(H,22,23)/t19-/m0/s1

InChI Key

QZRNZIPFWVFRHB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08088625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

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

3.341

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.47

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

8563-0804 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0804?
Check Price and Availability of 8563-0804, 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 8563-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0804
  • 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 8563-0804 available by request