5701-2487 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione

5701-2487 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
5701-2487 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2487
1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-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

5701-2487

Molecular Formula

C17H17ClFN3S (C17 H17 ClFN3 S)

Compound Name

1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione

IUPAC name

1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-135-triazinane-2-thione

SMILES

Fc(ccc(N(CN(CCc1ccccc1)CN1)C1=S)c1)c1Cl

InChI

InChI=1S/C17H17ClFN3S/c18-15-10-14(6-7-16(15)19)22-12-21(11-20-17(22)23)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)

InChI Key

SGJHCAJIAMXATC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03681721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.42

Polar Surface Area

17.911

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 5701-2487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2487?
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What is the minimum amount of 5701-2487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2487
  • 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 5701-2487 available by request