Y030-9582 Screening compound: 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

Y030-9582 Screening compound: 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Y030-9582 Screening compound: 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9582
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]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

Y030-9582

Molecular Formula

C13H13Cl2N3O3S (C13 H13 Cl2 N3 O3 S)

Compound Name

2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-(24-dichlorophenoxy)-N-[5-(ethoxymethyl)-134-thiadiazol-2-yl]acetamide

SMILES

CCOCc1nnc(NC(COc(ccc(Cl)c2)c2Cl)=O)s1

InChI

InChI=1S/C13H13Cl2N3O3S/c1-2-20-7-12-17-18-13(22-12)16-11(19)6-21-10-4-3-8(14)5-9(10)15/h3-5H,2,6-7H2,1H3,(H,16,18,19)

InChI Key

FLLBNZOOOPHSAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05661304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.49

Polar Surface Area

62.801

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y030-9582 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 Y030-9582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9582?
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What is the minimum amount of Y030-9582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9582
  • 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 Y030-9582 available by request