3260-0030 Screening compound: 2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-1-ol

3260-0030 Screening compound: 2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-1-ol
3260-0030 Screening compound: 2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0030
2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-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

3260-0030

Molecular Formula

C22H30N4O (C22 H30 N4 O)

Compound Name

2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-1-ol

IUPAC name

2-{3-[2-(diethylamino)ethyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}-1-(4-methylphenyl)ethan-1-ol

SMILES

CCN(CC)CCN(c(cccc1)c1N1CC(c2ccc(C)cc2)O)C1=N

InChI

InChI=1S/C22H30N4O/c1-4-24(5-2)14-15-25-19-8-6-7-9-20(19)26(22(25)23)16-21(27)18-12-10-17(3)11-13-18/h6-13,21,23,27H,4-5,14-16H2,1-3H3/t21-/m0/s1

InChI Key

DFYJEMWNWBXNDV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01816027

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-3.40

Polar Surface Area

41.396

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

3260-0030 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3260-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0030?
Check Price and Availability of 3260-0030, 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 3260-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0030
  • 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 3260-0030 available by request