F071-0340 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)acetamide

F071-0340 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)acetamide
F071-0340 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0340
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)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

F071-0340

Molecular Formula

C21H18ClFN6O3S (C21 H18 ClFN6 O3 S)

Compound Name

2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)acetamide

IUPAC name

2-{5-amino-4-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-fluorophenyl)acetamide

SMILES

COc(cc1)ccc1-c1noc(-c2c(N)n(CC(Nc(ccc(F)c3)c3Cl)=O)nc2SC)n1

InChI

InChI=1S/C21H18ClFN6O3S/c1-31-13-6-3-11(4-7-13)19-26-20(32-28-19)17-18(24)29(27-21(17)33-2)10-16(30)25-15-8-5-12(23)9-14(15)22/h3-9H,10,24H2,1-2H3,(H,25,30)

InChI Key

MMJMRHLRZZJISF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.68

Polar Surface Area

94.727

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F071-0340 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 F071-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0340?
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What is the minimum amount of F071-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0340
  • 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 F071-0340 available by request