6220-1298 Screening compound: 3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

6220-1298 Screening compound: 3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
6220-1298 Screening compound: 3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-1298
3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

6220-1298

Molecular Formula

C21H23BrN4S (C21 H23 BrN4 S)

Compound Name

3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(3-bromophenyl)-1-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

CC1CCN(CN(C2=S)N=C(c3cccc(Br)c3)N2c2ccccc2)CC1

InChI

InChI=1S/C21H23BrN4S/c1-16-10-12-24(13-11-16)15-25-21(27)26(19-8-3-2-4-9-19)20(23-25)17-6-5-7-18(22)14-17/h2-9,14,16H,10-13,15H2,1H3

InChI Key

CXCDKNKUNOSDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-5.47

Polar Surface Area

23.653

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6220-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-1298?
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What is the minimum amount of 6220-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-1298
  • 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 6220-1298 available by request