Y050-0677 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide

Y050-0677 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide
Y050-0677 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0677
4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide

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

Y050-0677

Molecular Formula

C22H28ClN3O3S (C22 H28 ClN3 O3 S)

Compound Name

4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide

IUPAC name

4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-N-ethylbenzene-1-sulfonamide

SMILES

CCNS(c1ccc(CCC(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)cc1)(=O)=O

InChI

InChI=1S/C22H28ClN3O3S/c1-3-24-30(28,29)20-9-5-18(6-10-20)7-11-22(27)26-14-12-25(13-15-26)21-16-19(23)8-4-17(21)2/h4-6,8-10,16,24H,3,7,11-15H2,1-2H3

InChI Key

DSTKAXBTHYRORR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07360620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.42

Polar Surface Area

60.974

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y050-0677 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0677?
Check Price and Availability of Y050-0677, 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 Y050-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0677
  • 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 Y050-0677 available by request