2226-0488 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

2226-0488 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine
2226-0488 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2226-0488
N-{[4-(dimethylamino)phenyl]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

2226-0488

Molecular Formula

C22H29N5O (C22 H29 N5 O)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-1-[2-(morpholin-4-yl)ethyl]-1H-13-benzodiazol-2-amine

SMILES

CN(C)c1ccc(CNc2nc(cccc3)c3n2CCN2CCOCC2)cc1

InChI

InChI=1S/C22H29N5O/c1-25(2)19-9-7-18(8-10-19)17-23-22-24-20-5-3-4-6-21(20)27(22)12-11-26-13-15-28-16-14-26/h3-10H,11-17H2,1-2H3,(H,23,24)

InChI Key

JWXOPZMSWSIVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01413182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.13

Polar Surface Area

36.983

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

2226-0488 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2226-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2226-0488?
Check Price and Availability of 2226-0488, 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 2226-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2226-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2226-0488
  • 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 2226-0488 available by request