8019-8400 Screening compound: 1-[2-methyl-4-(2-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

8019-8400 Screening compound: 1-[2-methyl-4-(2-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone
8019-8400 Screening compound: 1-[2-methyl-4-(2-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8400
1-[2-methyl-4-(2-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

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

8019-8400

Molecular Formula

C18H16N4O (C18 H16 N4 O)

Compound Name

1-[2-methyl-4-(2-pyridyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]-1-ethanone

IUPAC name

1-[11-methyl-13-(pyridin-2-yl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-12-yl]ethan-1-one

SMILES

CC(C1=C(C)Nc2nc(cccc3)c3n2C1c1ncccc1)=O

InChI

InChI=1S/C18H16N4O/c1-11-16(12(2)23)17(14-8-5-6-10-19-14)22-15-9-4-3-7-13(15)21-18(22)20-11/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1

InChI Key

LWSZYFSVZXFOQQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09765944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.82

Polar Surface Area

46.909

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8019-8400 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-8400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8400?
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What is the minimum amount of 8019-8400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8400
  • 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 8019-8400 available by request