8011-5000 Screening compound: 3-(2,4-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

8011-5000 Screening compound: 3-(2,4-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
8011-5000 Screening compound: 3-(2,4-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5000
3-(2,4-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-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

8011-5000

Molecular Formula

C16H18Cl2N4OS (C16 H18 Cl2 N4 OS)

Compound Name

3-(2,4-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(24-dichlorophenyl)-1-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

C=CCN(C(c(ccc(Cl)c1)c1Cl)=NN1CN2CCOCC2)C1=S

InChI

InChI=1S/C16H18Cl2N4OS/c1-2-5-21-15(13-4-3-12(17)10-14(13)18)19-22(16(21)24)11-20-6-8-23-9-7-20/h2-4,10H,1,5-9,11H2

InChI Key

DYVODTYJNWADOS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-4.10

Polar Surface Area

32.423

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8011-5000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5000?
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What is the minimum amount of 8011-5000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5000
  • 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 8011-5000 available by request