3260-0021 Screening compound: 2-(3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-ol

3260-0021 Screening compound: 2-(3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-ol
3260-0021 Screening compound: 2-(3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0021
2-(3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-ol

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

3260-0021

Molecular Formula

C22H21N3O (C22 H21 N3 O)

Compound Name

2-(3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-ol

IUPAC name

2-(3-benzyl-2-imino-23-dihydro-1H-13-benzodiazol-1-yl)-1-phenylethan-1-ol

SMILES

N=C1N(Cc2ccccc2)c(cccc2)c2N1CC(c1ccccc1)O

InChI

InChI=1S/C22H21N3O/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18/h1-14,21,23,26H,15-16H2/t21-/m0/s1

InChI Key

JBLBJLSLNPIWIC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01832535

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-4.15

Polar Surface Area

37.735

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

3260-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3260-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0021?
Check Price and Availability of 3260-0021, 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 3260-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0021
  • 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 3260-0021 available by request