8018-9564 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine

8018-9564 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine
8018-9564 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9564
4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-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

8018-9564

Molecular Formula

C12H10ClFN6O3S (C12 H10 ClFN6 O3 S)

Compound Name

4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-4-methyl-4H-124-triazol-3-yl}-125-oxadiazol-3-amine

SMILES

Cn1c(S(Cc(c(F)ccc2)c2Cl)(=O)=O)nnc1-c1nonc1N

InChI

InChI=1S/C12H10ClFN6O3S/c1-20-11(9-10(15)19-23-18-9)16-17-12(20)24(21,22)5-6-7(13)3-2-4-8(6)14/h2-4H,5H2,1H3,(H2,15,19)

InChI Key

OSFGTCRWVTUWOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.478

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-2.49

Polar Surface Area

111.543

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-9564 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9564?
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What is the minimum amount of 8018-9564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9564
  • 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 8018-9564 available by request