7250-0020 Screening compound: methyl 2-(2-benzyl-1H-1,3-benzodiazol-1-yl)acetate

7250-0020 Screening compound: methyl 2-(2-benzyl-1H-1,3-benzodiazol-1-yl)acetate
7250-0020 Screening compound: methyl 2-(2-benzyl-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7250-0020
methyl 2-(2-benzyl-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

7250-0020

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

methyl 2-(2-benzyl-1H-1,3-benzodiazol-1-yl)acetate

IUPAC name

methyl 2-(2-benzyl-1H-13-benzodiazol-1-yl)acetate

SMILES

COC(Cn1c(cccc2)c2nc1Cc1ccccc1)=O

InChI

InChI=1S/C17H16N2O2/c1-21-17(20)12-19-15-10-6-5-9-14(15)18-16(19)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

LBONCJULYLIUAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.34

Polar Surface Area

31.722

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

7250-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7250-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7250-0020?
Check Price and Availability of 7250-0020, 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 7250-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7250-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7250-0020
  • 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 7250-0020 available by request