F071-0348 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-methylphenyl)acetamide

F071-0348 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-methylphenyl)acetamide
F071-0348 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-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0348
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-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

F071-0348

Molecular Formula

C22H21ClN6O3S (C22 H21 ClN6 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-methylphenyl)acetamide

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(Cn(c(N)c1-c2nc(-c(cc3)ccc3OC)no2)nc1SC)=O

InChI

InChI=1S/C22H21ClN6O3S/c1-12-4-9-16(15(23)10-12)25-17(30)11-29-19(24)18(22(27-29)33-3)21-26-20(28-32-21)13-5-7-14(31-2)8-6-13/h4-10H,11,24H2,1-3H3,(H,25,30)

InChI Key

RTDBIKYEMOHAPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.97

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

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.69

Polar Surface Area

94.727

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F071-0348 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 F071-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0348?
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What is the minimum amount of F071-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0348
  • 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 F071-0348 available by request