8018-7484 Screening compound: 2-amino-4,5-dimethyl-1-[2-(2-pyridyl)ethyl]-1H-pyrrol-3-yl cyanide

8018-7484 Screening compound: 2-amino-4,5-dimethyl-1-[2-(2-pyridyl)ethyl]-1H-pyrrol-3-yl cyanide
8018-7484 Screening compound: 2-amino-4,5-dimethyl-1-[2-(2-pyridyl)ethyl]-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7484
2-amino-4,5-dimethyl-1-[2-(2-pyridyl)ethyl]-1H-pyrrol-3-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

8018-7484

Molecular Formula

C14H16N4 (C14 H16 N4)

Compound Name

2-amino-4,5-dimethyl-1-[2-(2-pyridyl)ethyl]-1H-pyrrol-3-yl cyanide

IUPAC name

2-amino-45-dimethyl-1-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-3-carbonitrile

SMILES

Cc1c(C)n(CCc2ncccc2)c(N)c1C#N

InChI

InChI=1S/C14H16N4/c1-10-11(2)18(14(16)13(10)9-15)8-6-12-5-3-4-7-17-12/h3-5,7H,6,8,16H2,1-2H3

InChI Key

MIPLVBUKSUUXPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-0.89

Polar Surface Area

47.765

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8018-7484 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7484?
Check Price and Availability of 8018-7484, 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 8018-7484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7484
  • 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 8018-7484 available by request