4860-0004 Screening compound: 2-[3,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOL-10(2H)-YL]-1-(3-METHOXYPHENYL)-1-ETHANONE

4860-0004 Screening compound: 2-[3,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOL-10(2H)-YL]-1-(3-METHOXYPHENYL)-1-ETHANONE
4860-0004 Screening compound: 2-[3,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOL-10(2H)-YL]-1-(3-METHOXYPHENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4860-0004
2-[3,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOL-10(2H)-YL]-1-(3-METHOXYPHENYL)-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

4860-0004

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

2-[3,4-DIHYDROPYRIMIDO[1,2-A][1,3]BENZIMIDAZOL-10(2H)-YL]-1-(3-METHOXYPHENYL)-1-ETHANONE

IUPAC name

n/a

SMILES

COc1cccc(C(CN2C3=NCCCN3c3c2cccc3)=O)c1

InChI

InChI=1S/C19H19N3O2/c1-24-15-7-4-6-14(12-15)18(23)13-22-17-9-3-2-8-16(17)21-11-5-10-20-19(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3

InChI Key

UIMJTGBOHVOXFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302169

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

-0.732

Water Solubility, LogSw

-3.72

Polar Surface Area

36.276

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

11.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4860-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4860-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4860-0004?
Check Price and Availability of 4860-0004, 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 4860-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4860-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4860-0004
  • 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 4860-0004 available by request