6220-1321 Screening compound: 3-(3-bromophenyl)-1-[(morpholin-4-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

6220-1321 Screening compound: 3-(3-bromophenyl)-1-[(morpholin-4-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
6220-1321 Screening compound: 3-(3-bromophenyl)-1-[(morpholin-4-yl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-1321
3-(3-bromophenyl)-1-[(morpholin-4-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

6220-1321

Molecular Formula

C19H19BrN4OS (C19 H19 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

S=C(N(CN1CCOCC1)N=C1c2cccc(Br)c2)N1c1ccccc1

InChI

InChI=1S/C19H19BrN4OS/c20-16-6-4-5-15(13-16)18-21-23(14-22-9-11-25-12-10-22)19(26)24(18)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2

InChI Key

INKOLSSCBPNWJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.08

Polar Surface Area

31.562

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6220-1321 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 6220-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-1321?
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What is the minimum amount of 6220-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-1321
  • 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 6220-1321 available by request