D400-0560 Screening compound: 2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(1,3-thiazol-2-yl)acetamide

D400-0560 Screening compound: 2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(1,3-thiazol-2-yl)acetamide
D400-0560 Screening compound: 2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0560
2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(1,3-thiazol-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

D400-0560

Molecular Formula

C16H16N4O3S (C16 H16 N4 O3 S)

Compound Name

2-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{3-[3-(propan-2-yl)-124-oxadiazol-5-yl]phenoxy}-N-(13-thiazol-2-yl)acetamide

SMILES

CC(C)c1noc(-c2cccc(OCC(Nc3nccs3)=O)c2)n1

InChI

InChI=1S/C16H16N4O3S/c1-10(2)14-19-15(23-20-14)11-4-3-5-12(8-11)22-9-13(21)18-16-17-6-7-24-16/h3-8,10H,9H2,1-2H3,(H,17,18,21)

InChI Key

DUVBSFIOXLTTGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.63

Polar Surface Area

72.771

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D400-0560 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 D400-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0560?
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What is the minimum amount of D400-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0560
  • 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 D400-0560 available by request