Y030-9219 Screening compound: 2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

Y030-9219 Screening compound: 2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
Y030-9219 Screening compound: 2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9219
2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

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

Y030-9219

Molecular Formula

C19H22N2O5S2 (C19 H22 N2 O5 S2)

Compound Name

2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

IUPAC name

2-phenylmethanesulfonyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

SMILES

O=C(CS(Cc1ccccc1)(=O)=O)Nc(cc1)ccc1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C19H22N2O5S2/c22-19(15-27(23,24)14-16-6-2-1-3-7-16)20-17-8-10-18(11-9-17)28(25,26)21-12-4-5-13-21/h1-3,6-11H,4-5,12-15H2,(H,20,22)

InChI Key

BHKKIKQSTULOSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.41

Polar Surface Area

83.493

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

Y030-9219 in Drug Discovery

Included in Screening Libraries

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 Y030-9219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9219?
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What is the minimum amount of Y030-9219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9219
  • 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 Y030-9219 available by request