3906-0717 Screening compound: 1-benzyl-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole

3906-0717 Screening compound: 1-benzyl-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole
3906-0717 Screening compound: 1-benzyl-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3906-0717
1-benzyl-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole

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

3906-0717

Molecular Formula

C21H16Cl2N2O (C21 H16 Cl2 N2 O)

Compound Name

1-benzyl-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-[(24-dichlorophenoxy)methyl]-1H-13-benzodiazole

SMILES

Clc(cc1)cc(Cl)c1OCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C21H16Cl2N2O/c22-16-10-11-20(17(23)12-16)26-14-21-24-18-8-4-5-9-19(18)25(21)13-15-6-2-1-3-7-15/h1-12H,13-14H2

InChI Key

CIUGVWSMYXQVIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.970

Water Solubility, LogSw

-6.22

Polar Surface Area

18.457

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3906-0717 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3906-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3906-0717?
Check Price and Availability of 3906-0717, 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 3906-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3906-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3906-0717
  • 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 3906-0717 available by request