F071-0351 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide

F071-0351 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
F071-0351 Screening compound: 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0351
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide

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

F071-0351

Molecular Formula

C22H22N6O3S (C22 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(-c2c(N)n(CC(NCc3ccccc3)=O)nc2SC)n1

InChI

InChI=1S/C22H22N6O3S/c1-30-16-10-8-15(9-11-16)20-25-21(31-27-20)18-19(23)28(26-22(18)32-2)13-17(29)24-12-14-6-4-3-5-7-14/h3-11H,12-13,23H2,1-2H3,(H,24,29)

InChI Key

XHRIKYUYMFIEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.71

Polar Surface Area

96.747

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with F071-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0351?
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What is the minimum amount of F071-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0351
  • 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 F071-0351 available by request