8018-5652 Screening compound: 1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1,2,3,4-tetrazole

8018-5652 Screening compound: 1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1,2,3,4-tetrazole
8018-5652 Screening compound: 1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5652
1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1,2,3,4-tetrazole

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

8018-5652

Molecular Formula

C15H11Cl2FN4OS (C15 H11 Cl2 FN4 OS)

Compound Name

1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1,2,3,4-tetrazole

IUPAC name

1-(3-chloro-4-methylphenyl)-5-[(2-chloro-6-fluorophenyl)methanesulfinyl]-1H-1234-tetrazole

SMILES

Cc(ccc(-n1nnnc1S(Cc(c(F)ccc1)c1Cl)=O)c1)c1Cl

InChI

InChI=1S/C15H13Cl2FN4OS/c1-9-5-6-10(7-13(9)17)22-15(19-20-21-22)24(23)8-11-12(16)3-2-4-14(11)18/h2-7H,8,24H2,1H3

InChI Key

LTKXGJUFRWAMTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.56

Polar Surface Area

55.672

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8018-5652 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-5652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5652?
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What is the minimum amount of 8018-5652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5652
  • 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 8018-5652 available by request