3260-0408 Screening compound: 1-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-ol

3260-0408 Screening compound: 1-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-ol
3260-0408 Screening compound: 1-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0408
1-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-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

3260-0408

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

1-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-ol

IUPAC name

1-(3-ethyl-2-imino-23-dihydro-1H-13-benzodiazol-1-yl)-3-phenoxypropan-2-ol

SMILES

CCN(c(cccc1)c1N1CC(COc2ccccc2)O)C1=N

InChI

InChI=1S/C18H21N3O2/c1-2-20-16-10-6-7-11-17(16)21(18(20)19)12-14(22)13-23-15-8-4-3-5-9-15/h3-11,14,19,22H,2,12-13H2,1H3/t14-/m0/s1

InChI Key

PQPBYLUHMXLEMD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01541849

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.13

Polar Surface Area

45.697

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

3260-0408 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3260-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0408?
Check Price and Availability of 3260-0408, 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 3260-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0408
  • 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 3260-0408 available by request