6700-1172 Screening compound: 5-(2-fluorophenyl)-4-(3-morpholinopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

6700-1172 Screening compound: 5-(2-fluorophenyl)-4-(3-morpholinopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
6700-1172 Screening compound: 5-(2-fluorophenyl)-4-(3-morpholinopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6700-1172
5-(2-fluorophenyl)-4-(3-morpholinopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-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

6700-1172

Molecular Formula

C15H19FN4OS (C15 H19 FN4 OS)

Compound Name

5-(2-fluorophenyl)-4-(3-morpholinopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

IUPAC name

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

SMILES

Fc(cccc1)c1C(N1CCCN2CCOCC2)=NNC1=S

InChI

InChI=1S/C15H19FN4OS/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

UBFLWMDNRBZPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05989507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

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

2.113

Distribution Coefficient, logD

0.089

Water Solubility, LogSw

-2.79

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

46.67

6700-1172 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6700-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6700-1172?
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What is the minimum amount of 6700-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6700-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6700-1172
  • 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 6700-1172 available by request