Y041-8194 Screening compound: 2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-yl)benzamide

Y041-8194 Screening compound: 2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-yl)benzamide
Y041-8194 Screening compound: 2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8194
2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-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

Y041-8194

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-yl)benzamide

IUPAC name

2-chloro-N-[2-(pyridin-4-yl)ethyl]-5-(1H-pyrrol-1-yl)benzamide

SMILES

O=C(c(cc(cc1)-n2cccc2)c1Cl)NCCc1ccncc1

InChI

InChI=1S/C18H16ClN3O/c19-17-4-3-15(22-11-1-2-12-22)13-16(17)18(23)21-10-7-14-5-8-20-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,21,23)

InChI Key

ANVVINAFTMKGDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28368397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.81

Polar Surface Area

37.907

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y041-8194 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-8194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8194?
Check Price and Availability of Y041-8194, 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 Y041-8194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8194
  • 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 Y041-8194 available by request