F071-0747 Screening compound: 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide

F071-0747 Screening compound: 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide
F071-0747 Screening compound: 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-chloro-2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0747
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-chloro-2-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

F071-0747

Molecular Formula

C21H18ClFN6O2S (C21 H18 ClFN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2noc(-c3c(N)n(CC(Nc(ccc(Cl)c4)c4F)=O)nc3SC)n2)c1

InChI

InChI=1S/C21H18ClFN6O2S/c1-11-4-3-5-12(8-11)19-26-20(31-28-19)17-18(24)29(27-21(17)32-2)10-16(30)25-15-7-6-13(22)9-14(15)23/h3-9H,10,24H2,1-2H3,(H,25,30)

InChI Key

AHQNXRMJQISWTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.96

Polar Surface Area

87.183

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F071-0747 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F071-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0747?
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What is the minimum amount of F071-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0747
  • 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 F071-0747 available by request