Y501-4900 Screening compound: 1-[4-({4-[(4-methylphenyl)sulfonyl]piperazino}sulfonyl)phenyl]-2-pyrrolidinone

Y501-4900 Screening compound: 1-[4-({4-[(4-methylphenyl)sulfonyl]piperazino}sulfonyl)phenyl]-2-pyrrolidinone
Y501-4900 Screening compound: 1-[4-({4-[(4-methylphenyl)sulfonyl]piperazino}sulfonyl)phenyl]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4900
1-[4-({4-[(4-methylphenyl)sulfonyl]piperazino}sulfonyl)phenyl]-2-pyrrolidinone

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

Y501-4900

Molecular Formula

C21H25N3O5S2 (C21 H25 N3 O5 S2)

Compound Name

1-[4-({4-[(4-methylphenyl)sulfonyl]piperazino}sulfonyl)phenyl]-2-pyrrolidinone

IUPAC name

1-(4-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]sulfonyl}phenyl)pyrrolidin-2-one

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1S(c(cc1)ccc1N(CCC1)C1=O)(=O)=O)(=O)=O

InChI

InChI=1S/C21H25N3O5S2/c1-17-4-8-19(9-5-17)30(26,27)22-13-15-23(16-14-22)31(28,29)20-10-6-18(7-11-20)24-12-2-3-21(24)25/h4-11H,2-3,12-16H2,1H3

InChI Key

UWRLOLVURUKATN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-2.98

Polar Surface Area

80.285

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y501-4900 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-4900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4900?
Check Price and Availability of Y501-4900, 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 Y501-4900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4900
  • 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 Y501-4900 available by request