Y044-1064 Screening compound: 1-[4-(2-hydroxyethyl)piperazino]-3-(2-phenyl-1H-indol-1-yl)-1-propanone

Y044-1064 Screening compound: 1-[4-(2-hydroxyethyl)piperazino]-3-(2-phenyl-1H-indol-1-yl)-1-propanone
Y044-1064 Screening compound: 1-[4-(2-hydroxyethyl)piperazino]-3-(2-phenyl-1H-indol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-1064
1-[4-(2-hydroxyethyl)piperazino]-3-(2-phenyl-1H-indol-1-yl)-1-propanone

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

Y044-1064

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

1-[4-(2-hydroxyethyl)piperazino]-3-(2-phenyl-1H-indol-1-yl)-1-propanone

IUPAC name

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenyl-1H-indol-1-yl)propan-1-one

SMILES

OCCN(CC1)CCN1C(CCn(c(-c1ccccc1)c1)c2c1cccc2)=O

InChI

InChI=1S/C23H27N3O2/c27-17-16-24-12-14-25(15-13-24)23(28)10-11-26-21-9-5-4-8-20(21)18-22(26)19-6-2-1-3-7-19/h1-9,18,27H,10-17H2

InChI Key

RIOQTAJZLHCSJY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.34

Polar Surface Area

37.238

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

Y044-1064 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y044-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1064?
Check Price and Availability of Y044-1064, 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 Y044-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1064
  • 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 Y044-1064 available by request