Y207-5577 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione

Y207-5577 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
Y207-5577 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5577
1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-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

Y207-5577

Molecular Formula

C15H19ClFN3S (C15 H19 ClFN3 S)

Compound Name

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

IUPAC name

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

SMILES

Fc(ccc(N(CN(CN1)C2CCCCC2)C1=S)c1)c1Cl

InChI

InChI=1S/C15H19ClFN3S/c16-13-8-12(6-7-14(13)17)20-10-19(9-18-15(20)21)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,18,21)

InChI Key

LVHMOGJGKXMKFV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.51

Polar Surface Area

17.485

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

Y207-5577 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 Y207-5577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5577?
Check Price and Availability of Y207-5577, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y207-5577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5577
  • 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 Y207-5577 available by request