Y040-9915 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

Y040-9915 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
Y040-9915 Screening compound: 2-(6-chloro-1H-indol-1-yl)-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9915
2-(6-chloro-1H-indol-1-yl)-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-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

Y040-9915

Molecular Formula

C24H28ClN3O4 (C24 H28 ClN3 O4)

Compound Name

2-(6-chloro-1H-indol-1-yl)-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(6-chloro-1H-indol-1-yl)-1-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

COc(ccc(CN(CC1)CCN1C(Cn(cc1)c2c1ccc(Cl)c2)=O)c1OC)c1OC

InChI

InChI=1S/C24H28ClN3O4/c1-30-21-7-5-18(23(31-2)24(21)32-3)15-26-10-12-27(13-11-26)22(29)16-28-9-8-17-4-6-19(25)14-20(17)28/h4-9,14H,10-13,15-16H2,1-3H3

InChI Key

HGZRDYJFIVWUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12217571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.64

Polar Surface Area

45.075

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y040-9915 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9915?
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What is the minimum amount of Y040-9915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9915
  • 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 Y040-9915 available by request