D457-0044 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propoxybenzamide

D457-0044 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propoxybenzamide
D457-0044 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0044
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-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

D457-0044

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(Nc1nc(-c(cc2)ccc2OCC)ns1)=O

InChI

InChI=1S/C20H21N3O3S/c1-3-13-26-17-11-7-15(8-12-17)19(24)22-20-21-18(23-27-20)14-5-9-16(10-6-14)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22,23,24)

InChI Key

CSHXGTJQBDTDMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.28

Polar Surface Area

58.459

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D457-0044 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D457-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0044?
Check Price and Availability of D457-0044, 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 D457-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0044
  • 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 D457-0044 available by request