D457-0080 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-fluorophenoxy)butanamide

D457-0080 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-fluorophenoxy)butanamide
D457-0080 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-fluorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0080
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-fluorophenoxy)butanamide

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

D457-0080

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

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

IUPAC name

N-[3-(4-ethoxyphenyl)-124-thiadiazol-5-yl]-2-(4-fluorophenoxy)butanamide

SMILES

CCC(C(Nc1nc(-c(cc2)ccc2OCC)ns1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C20H20FN3O3S/c1-3-17(27-16-11-7-14(21)8-12-16)19(25)23-20-22-18(24-28-20)13-5-9-15(10-6-13)26-4-2/h5-12,17H,3-4H2,1-2H3,(H,22,23,24,25)/t17-/m0/s1

InChI Key

LVXDJGBLPGSVLJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12921306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

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

5.299

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.21

Polar Surface Area

57.713

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D457-0080 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D457-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0080?
Check Price and Availability of D457-0080, 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 D457-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0080
  • 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 D457-0080 available by request