7494-0011 Screening compound: (2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine

7494-0011 Screening compound: (2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine
7494-0011 Screening compound: (2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7494-0011
(2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine

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

7494-0011

Molecular Formula

C21H27ClN4O (C21 H27 ClN4 O)

Compound Name

(2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine

IUPAC name

(2-{3-[2-(3-chlorophenoxy)ethyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}ethyl)diethylamine

SMILES

CCN(CC)CCN(c(cccc1)c1N1CCOc2cccc(Cl)c2)C1=N

InChI

InChI=1S/C21H27ClN4O/c1-3-24(4-2)12-13-25-19-10-5-6-11-20(19)26(21(25)23)14-15-27-18-9-7-8-17(22)16-18/h5-11,16,23H,3-4,12-15H2,1-2H3

InChI Key

XZATYLJXPKAISX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712746

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

386.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-4.59

Polar Surface Area

32.640

Acid Dissociation Constant (pKa)

29.99

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

7494-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7494-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7494-0011?
Check Price and Availability of 7494-0011, 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 7494-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7494-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7494-0011
  • 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 7494-0011 available by request