4108-0777 Screening compound: 1-(3-bromophenyl)-2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-ethanone

4108-0777 Screening compound: 1-(3-bromophenyl)-2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-ethanone
4108-0777 Screening compound: 1-(3-bromophenyl)-2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4108-0777
1-(3-bromophenyl)-2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-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

4108-0777

Molecular Formula

C18H16BrN3O (C18 H16 BrN3 O)

Compound Name

1-(3-bromophenyl)-2-[3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-10(2H)-yl]-1-ethanone

IUPAC name

1-(3-bromophenyl)-2-{1810-triazatricyclo[7.4.0.0^{27}]trideca-2469-tetraen-8-yl}ethan-1-one

SMILES

O=C(CN1C2=NCCCN2c2c1cccc2)c1cccc(Br)c1

InChI

InChI=1S/C18H16BrN3O/c19-14-6-3-5-13(11-14)17(23)12-22-16-8-2-1-7-15(16)21-10-4-9-20-18(21)22/h1-3,5-8,11H,4,9-10,12H2

InChI Key

GWMNQEGPDDKPAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932315

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

370.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

0.055

Water Solubility, LogSw

-4.30

Polar Surface Area

28.732

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

11.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4108-0777 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4108-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4108-0777?
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What is the minimum amount of 4108-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4108-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4108-0777
  • 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 4108-0777 available by request