5326-0752 Screening compound: 1-(2,4-dichlorophenoxy)-3-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propan-2-ol

5326-0752 Screening compound: 1-(2,4-dichlorophenoxy)-3-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propan-2-ol
5326-0752 Screening compound: 1-(2,4-dichlorophenoxy)-3-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5326-0752
1-(2,4-dichlorophenoxy)-3-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propan-2-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

5326-0752

Molecular Formula

C19H21Cl2N3O2 (C19 H21 Cl2 N3 O2)

Compound Name

1-(2,4-dichlorophenoxy)-3-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propan-2-ol

IUPAC name

1-(24-dichlorophenoxy)-3-(2-imino-3-propyl-23-dihydro-1H-13-benzodiazol-1-yl)propan-2-ol

SMILES

CCCN(c(cccc1)c1N1CC(COc(ccc(Cl)c2)c2Cl)O)C1=N

InChI

InChI=1S/C19H21Cl2N3O2/c1-2-9-23-16-5-3-4-6-17(16)24(19(23)22)11-14(25)12-26-18-8-7-13(20)10-15(18)21/h3-8,10,14,22,25H,2,9,11-12H2,1H3/t14-/m0/s1

InChI Key

AOZYVPVAAIZOAG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03298339

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

394.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.66

Polar Surface Area

46.038

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

5326-0752 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 5326-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5326-0752?
Check Price and Availability of 5326-0752, 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 5326-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5326-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5326-0752
  • 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 5326-0752 available by request