D457-0289 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide

D457-0289 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
D457-0289 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0289
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide

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

D457-0289

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

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

IUPAC name

N-[3-(4-ethoxy-3-methoxyphenyl)-124-thiadiazol-5-yl]-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc2nc(-c(cc3)cc(OC)c3OCC)ns2)=O)c1

InChI

InChI=1S/C21H23N3O4S/c1-4-11-28-16-8-6-7-15(12-16)20(25)23-21-22-19(24-29-21)14-9-10-17(27-5-2)18(13-14)26-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,23,24,25)

InChI Key

PCJQOVOSZRFCHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.66

Polar Surface Area

66.176

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D457-0289 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D457-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0289?
Check Price and Availability of D457-0289, 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 D457-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0289
  • 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 D457-0289 available by request