P131-0441 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide

P131-0441 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide
P131-0441 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P131-0441
N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide

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

P131-0441

Molecular Formula

C24H27N5O (C24 H27 N5 O)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-3-[3-(pyrrolidin-1-yl)pyrazin-2-yl]benzamide

SMILES

CN(C)c1ccc(CNC(c2cc(-c3nccnc3N3CCCC3)ccc2)=O)cc1

InChI

InChI=1S/C24H27N5O/c1-28(2)21-10-8-18(9-11-21)17-27-24(30)20-7-5-6-19(16-20)22-23(26-13-12-25-22)29-14-3-4-15-29/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,27,30)

InChI Key

TUWZTCTYPBOOOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.83

Polar Surface Area

49.802

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

P131-0441 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P131-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P131-0441?
Check Price and Availability of P131-0441, 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 P131-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P131-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P131-0441
  • 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 P131-0441 available by request