3260-0149 Screening compound: methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

3260-0149 Screening compound: methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
3260-0149 Screening compound: methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0149
methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

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

3260-0149

Molecular Formula

C17H24N4O2 (C17 H24 N4 O2)

Compound Name

methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

methyl 2-{2-imino-3-[2-(piperidin-1-yl)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}acetate

SMILES

COC(CN(c(cccc1)c1N1CCN2CCCCC2)C1=N)=O

InChI

InChI=1S/C17H24N4O2/c1-23-16(22)13-21-15-8-4-3-7-14(15)20(17(21)18)12-11-19-9-5-2-6-10-19/h3-4,7-8,18H,2,5-6,9-13H2,1H3

InChI Key

QXJMWFJCGMBRPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541847

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

316.4

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

1.834

Distribution Coefficient, logD

-0.712

Water Solubility, LogSw

-2.21

Polar Surface Area

46.394

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

3260-0149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3260-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0149?
Check Price and Availability of 3260-0149, 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 3260-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0149
  • 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 3260-0149 available by request