Y040-9556 Screening compound: 2-chloro-N-[(pyridin-4-yl)methyl]-5-(1H-pyrrol-1-yl)benzamide

Y040-9556 Screening compound: 2-chloro-N-[(pyridin-4-yl)methyl]-5-(1H-pyrrol-1-yl)benzamide
Y040-9556 Screening compound: 2-chloro-N-[(pyridin-4-yl)methyl]-5-(1H-pyrrol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9556
2-chloro-N-[(pyridin-4-yl)methyl]-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

Y040-9556

Molecular Formula

C17H14ClN3O (C17 H14 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc(cc1)-n2cccc2)c1Cl)NCc1ccncc1

InChI

InChI=1S/C17H14ClN3O/c18-16-4-3-14(21-9-1-2-10-21)11-15(16)17(22)20-12-13-5-7-19-8-6-13/h1-11H,12H2,(H,20,22)

InChI Key

LQCUUBJKVHTBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12218678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.77

Polar Surface Area

38.066

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

Y040-9556 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-9556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9556?
Check Price and Availability of Y040-9556, 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 Y040-9556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9556
  • 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 Y040-9556 available by request