F071-0845 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

F071-0845 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
F071-0845 Screening compound: 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0845
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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

F071-0845

Molecular Formula

C22H25ClN6O2S (C22 H25 ClN6 O2 S)

Compound Name

2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-{5-amino-4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

CSc1nn(CC(NCCC2=CCCCC2)=O)c(N)c1-c1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C22H25ClN6O2S/c1-32-22-18(21-26-20(28-31-21)15-7-9-16(23)10-8-15)19(24)29(27-22)13-17(30)25-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13,24H2,1H3,(H,25,30)

InChI Key

NXARAWUEUNFYFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.85

Polar Surface Area

89.237

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F071-0845 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 F071-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0845?
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What is the minimum amount of F071-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0845
  • 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 F071-0845 available by request