F071-0831 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)acetamide

F071-0831 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)acetamide
F071-0831 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0831
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)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

F071-0831

Molecular Formula

C24H24N6O4S (C24 H24 N6 O4 S)

Compound Name

2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)acetamide

IUPAC name

2-{5-amino-4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1NC(Cn(c(N)c1-c2nc(-c(cc3)cc4c3OCO4)no2)nc1SC)=O

InChI

InChI=1S/C24H24N6O4S/c1-4-14-7-5-6-13(2)20(14)26-18(31)11-30-21(25)19(24(28-30)35-3)23-27-22(29-34-23)15-8-9-16-17(10-15)33-12-32-16/h5-10H,4,11-12,25H2,1-3H3,(H,26,31)

InChI Key

VBFCDVXEAYRWJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.56

Polar Surface Area

103.601

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F071-0831 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 F071-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0831?
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What is the minimum amount of F071-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0831
  • 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 F071-0831 available by request