F071-0698 Screening compound: 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide

F071-0698 Screening compound: 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide
F071-0698 Screening compound: 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F071-0698
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide

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

F071-0698

Molecular Formula

C18H22N6O2S (C18 H22 N6 O2 S)

Compound Name

2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide

IUPAC name

2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-124-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-tert-butylacetamide

SMILES

CC(C)(C)NC(Cn(c(N)c1-c2nc(-c3ccccc3)no2)nc1SC)=O

InChI

InChI=1S/C18H22N6O2S/c1-18(2,3)21-12(25)10-24-14(19)13(17(22-24)27-4)16-20-15(23-26-16)11-8-6-5-7-9-11/h5-9H,10,19H2,1-4H3,(H,21,25)

InChI Key

VTXBGWQIMUUUDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

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

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.15

Polar Surface Area

88.298

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F071-0698 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F071-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F071-0698?
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What is the minimum amount of F071-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F071-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F071-0698
  • 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 F071-0698 available by request