F071-0823 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)acetamide

F071-0823 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)acetamide
F071-0823 Screening compound: 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0823
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)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

F071-0823

Molecular Formula

C19H22N6O4S (C19 H22 N6 O4 S)

Compound Name

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

IUPAC name

2-{5-amino-4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)acetamide

SMILES

CCC(C)NC(Cn(c(N)c1-c2nc(-c(cc3)cc4c3OCO4)no2)nc1SC)=O

InChI

InChI=1S/C19H22N6O4S/c1-4-10(2)21-14(26)8-25-16(20)15(19(23-25)30-3)18-22-17(24-29-18)11-5-6-12-13(7-11)28-9-27-12/h5-7,10H,4,8-9,20H2,1-3H3,(H,21,26)/t10-/m0/s1

InChI Key

PXMUTDWWJZUWOC-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27099050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.30

Polar Surface Area

106.032

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

F071-0823 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 F071-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0823?
Check Price and Availability of F071-0823, 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 F071-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0823
  • 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 F071-0823 available by request