3084-0161 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0161 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0161 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0161
3-methyl-1-[(2-morpholinoethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

3084-0161

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

3-methyl-1-[(2-morpholinoethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

11-methyl-13-{[2-(morpholin-4-yl)ethyl]amino}-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(NCCN1CCOCC1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H21N5O/c1-14-12-18(21-6-7-23-8-10-25-11-9-23)24-17-5-3-2-4-16(17)22-19(24)15(14)13-20/h2-5,12,21H,6-11H2,1H3

InChI Key

WESCNKPYTMFUIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.88

Polar Surface Area

47.669

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3084-0161 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3084-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0161?
Check Price and Availability of 3084-0161, 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 3084-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0161
  • 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 3084-0161 available by request