F071-0411 Screening compound: 1-benzyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine

F071-0411 Screening compound: 1-benzyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine
F071-0411 Screening compound: 1-benzyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0411
1-benzyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine

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

F071-0411

Molecular Formula

C20H19N5OS (C20 H19 N5 OS)

Compound Name

1-benzyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine

IUPAC name

1-benzyl-4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine

SMILES

Cc1cccc(-c2noc(-c3c(N)n(Cc4ccccc4)nc3SC)n2)c1

InChI

InChI=1S/C20H19N5OS/c1-13-7-6-10-15(11-13)18-22-19(26-24-18)16-17(21)25(23-20(16)27-2)12-14-8-4-3-5-9-14/h3-11H,12,21H2,1-2H3

InChI Key

GBONCTYVBJRBIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.66

Polar Surface Area

64.732

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F071-0411 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F071-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0411?
Check Price and Availability of F071-0411, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F071-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0411
  • 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 F071-0411 available by request