0453-0669 Screening compound: N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide

0453-0669 Screening compound: N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
0453-0669 Screening compound: N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0453-0669
N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide

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

0453-0669

Molecular Formula

C16H23N3O2S (C16 H23 N3 O2 S)

Compound Name

N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide

IUPAC name

N-(2-cyanoethyl)-4-methyl-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CCC#N)CCN1CCCC1)(=O)=O

InChI

InChI=1S/C16H23N3O2S/c1-15-5-7-16(8-6-15)22(20,21)19(12-4-9-17)14-13-18-10-2-3-11-18/h5-8H,2-4,10-14H2,1H3

InChI Key

ZKAJHNVCNFLEHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00614367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.558

Water Solubility, LogSw

-2.42

Polar Surface Area

53.411

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

0453-0669 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 0453-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0453-0669?
Check Price and Availability of 0453-0669, 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 0453-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0453-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0453-0669
  • 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 0453-0669 available by request