6700-1171 Screening compound: 3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

6700-1171 Screening compound: 3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
6700-1171 Screening compound: 3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6700-1171
3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-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

6700-1171

Molecular Formula

C15H19ClN4OS (C15 H19 ClN4 OS)

Compound Name

3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(2-chlorophenyl)-4-[3-(morpholin-4-yl)propyl]-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C1N(CCCN2CCOCC2)C(c(cccc2)c2Cl)=NN1

InChI

InChI=1S/C15H19ClN4OS/c16-13-5-2-1-4-12(13)14-17-18-15(22)20(14)7-3-6-19-8-10-21-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,22)

InChI Key

LHDMEKMVNAHGED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13372459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

0.581

Water Solubility, LogSw

-3.74

Polar Surface Area

39.454

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 6700-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6700-1171?
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What is the minimum amount of 6700-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6700-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6700-1171
  • 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 6700-1171 available by request