D674-0095 Screening compound: 2-{3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-yl)acetamide

D674-0095 Screening compound: 2-{3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-yl)acetamide
D674-0095 Screening compound: 2-{3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D674-0095
2-{3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-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

D674-0095

Molecular Formula

C19H16ClN3O3 (C19 H16 ClN3 O3)

Compound Name

2-{3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-{3-[5-(2-chlorophenyl)-124-oxadiazol-3-yl]phenoxy}-N-(prop-2-en-1-yl)acetamide

SMILES

C=CCNC(COc1cccc(-c2noc(-c(cccc3)c3Cl)n2)c1)=O

InChI

InChI=1S/C19H16ClN3O3/c1-2-10-21-17(24)12-25-14-7-5-6-13(11-14)18-22-19(26-23-18)15-8-3-4-9-16(15)20/h2-9,11H,1,10,12H2,(H,21,24)

InChI Key

KWRNSCSNBVOWOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18172271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-4.20

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D674-0095 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 D674-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D674-0095?
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What is the minimum amount of D674-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D674-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D674-0095
  • 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 D674-0095 available by request