3474-0105 Screening compound: 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

3474-0105 Screening compound: 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
3474-0105 Screening compound: 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0105
4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

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

3474-0105

Molecular Formula

C22H22N4 (C22 H22 N4)

Compound Name

4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

IUPAC name

4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

SMILES

CN(C)c(nccc1N(Cc2ccccc2)Cc2ccccc2)c1C#N

InChI

InChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3

InChI Key

FSZZPPMHTJCPBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01415954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.31

Polar Surface Area

31.523

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3474-0105 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3474-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0105?
Check Price and Availability of 3474-0105, 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 3474-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0105
  • 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 3474-0105 available by request