6738-0171 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

6738-0171 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine
6738-0171 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0171
N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

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

6738-0171

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(4-ethoxyphenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-13-benzodiazol-2-amine

SMILES

CCOc1ccc(CNc2nc(cccc3)c3n2CCN2CCOCC2)cc1

InChI

InChI=1S/C22H28N4O2/c1-2-28-19-9-7-18(8-10-19)17-23-22-24-20-5-3-4-6-21(20)26(22)12-11-25-13-15-27-16-14-25/h3-10H,2,11-17H2,1H3,(H,23,24)

InChI Key

IFRGGXQXBWGKPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04028250

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.16

Polar Surface Area

41.302

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

6738-0171 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6738-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0171?
Check Price and Availability of 6738-0171, 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 6738-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0171
  • 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 6738-0171 available by request