D457-0279 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

D457-0279 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
D457-0279 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0279
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-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

D457-0279

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-[3-(4-ethoxy-3-methoxyphenyl)-124-thiadiazol-5-yl]acetamide

SMILES

CCOc(ccc(-c1nsc(NC(COc(cc2C)cc(C)c2Cl)=O)n1)c1)c1OC

InChI

InChI=1S/C21H22ClN3O4S/c1-5-28-16-7-6-14(10-17(16)27-4)20-24-21(30-25-20)23-18(26)11-29-15-8-12(2)19(22)13(3)9-15/h6-10H,5,11H2,1-4H3,(H,23,24,25,26)

InChI Key

SPZTVGTXQSLHQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-6.00

Polar Surface Area

66.044

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D457-0279 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D457-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0279?
Check Price and Availability of D457-0279, 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 D457-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0279
  • 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 D457-0279 available by request