6738-0049 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

6738-0049 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol
6738-0049 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0049
1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)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

6738-0049

Molecular Formula

C24H32N4O2 (C24 H32 N4 O2)

Compound Name

1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(c(cccc1)c1N1CCN2CCCCC2)C1=N)O

InChI

InChI=1S/C24H32N4O2/c1-19-9-3-6-12-23(19)30-18-20(29)17-28-22-11-5-4-10-21(22)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,20,25,29H,2,7-8,13-18H2,1H3/t20-/m0/s1

InChI Key

JSWWJFBOMZWQSQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04022400

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-4.20

Polar Surface Area

49.749

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6738-0049 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 6738-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0049?
Check Price and Availability of 6738-0049, 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 6738-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0049
  • 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 6738-0049 available by request