Y030-7947 Screening compound: 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide

Y030-7947 Screening compound: 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide
Y030-7947 Screening compound: 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7947
2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide

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

Y030-7947

Molecular Formula

C13H13Cl2NO3S (C13 H13 Cl2 NO3 S)

Compound Name

2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide

IUPAC name

2-(24-dichlorophenoxy)-N-(2-oxothiolan-3-yl)propanamide

SMILES

CC(C(NC(CCS1)C1=O)=O)Oc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C13H13Cl2NO3S/c1-7(12(17)16-10-4-5-20-13(10)18)19-11-3-2-8(14)6-9(11)15/h2-3,6-7,10H,4-5H2,1H3,(H,16,17)

InChI Key

FUBUTIUKVPKMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.19

Polar Surface Area

45.081

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

Y030-7947 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-7947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7947?
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What is the minimum amount of Y030-7947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7947
  • 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 Y030-7947 available by request