Y040-9557 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one

Y040-9557 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one
Y040-9557 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9557
2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one

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

Y040-9557

Molecular Formula

C15H18ClN3O3S (C15 H18 ClN3 O3 S)

Compound Name

2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one

IUPAC name

2-(6-chloro-1H-indol-1-yl)-1-(4-methanesulfonylpiperazin-1-yl)ethan-1-one

SMILES

CS(N(CC1)CCN1C(Cn(cc1)c2c1ccc(Cl)c2)=O)(=O)=O

InChI

InChI=1S/C15H18ClN3O3S/c1-23(21,22)19-8-6-17(7-9-19)15(20)11-18-5-4-12-2-3-13(16)10-14(12)18/h2-5,10H,6-9,11H2,1H3

InChI Key

SORKOMUVSJFHSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12212820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.70

Polar Surface Area

49.753

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y040-9557 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-9557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9557?
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What is the minimum amount of Y040-9557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9557
  • 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 Y040-9557 available by request