Y030-5588 Screening compound: N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)acetamide

Y030-5588 Screening compound: N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)acetamide
Y030-5588 Screening compound: N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5588
N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)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

Y030-5588

Molecular Formula

C23H22N2O2S (C23 H22 N2 O2 S)

Compound Name

N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)acetamide

IUPAC name

N-[4-(N-methylacetamido)phenyl]-2-phenyl-2-(phenylsulfanyl)acetamide

SMILES

CC(N(C)c(cc1)ccc1NC(C(c1ccccc1)Sc1ccccc1)=O)=O

InChI

InChI=1S/C23H22N2O2S/c1-17(26)25(2)20-15-13-19(14-16-20)24-23(27)22(18-9-5-3-6-10-18)28-21-11-7-4-8-12-21/h3-16,22H,1-2H3,(H,24,27)/t22-/m1/s1

InChI Key

YOLDJMVPGQGDDZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02862542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-3.97

Polar Surface Area

39.167

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

Y030-5588 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-5588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5588?
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What is the minimum amount of Y030-5588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5588
  • 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 Y030-5588 available by request