F071-0518 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

F071-0518 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
F071-0518 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0518
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-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

F071-0518

Molecular Formula

C22H19ClN6O4S (C22 H19 ClN6 O4 S)

Compound Name

2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{5-amino-4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

CSc1nn(CC(Nc(cc2)cc3c2OCCO3)=O)c(N)c1-c1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C22H19ClN6O4S/c1-34-22-18(21-26-20(28-33-21)12-2-4-13(23)5-3-12)19(24)29(27-22)11-17(30)25-14-6-7-15-16(10-14)32-9-8-31-15/h2-7,10H,8-9,11,24H2,1H3,(H,25,30)

InChI Key

ZPTNIXTWRLPLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-4.23

Polar Surface Area

103.704

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F071-0518 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F071-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0518?
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What is the minimum amount of F071-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0518
  • 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 F071-0518 available by request