Y020-7175 Screening compound: 1,3-diphenyl-5-propyl-1,3,5-triazinane-2-thione

Y020-7175 Screening compound: 1,3-diphenyl-5-propyl-1,3,5-triazinane-2-thione
Y020-7175 Screening compound: 1,3-diphenyl-5-propyl-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7175
1,3-diphenyl-5-propyl-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

Y020-7175

Molecular Formula

C18H21N3S (C18 H21 N3 S)

Compound Name

1,3-diphenyl-5-propyl-1,3,5-triazinane-2-thione

IUPAC name

13-diphenyl-5-propyl-135-triazinane-2-thione

SMILES

CCCN(CN1c2ccccc2)CN(c2ccccc2)C1=S

InChI

InChI=1S/C18H21N3S/c1-2-13-19-14-20(16-9-5-3-6-10-16)18(22)21(15-19)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3

InChI Key

NSEDTHMVZBDPLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.15

Polar Surface Area

11.314

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y020-7175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y020-7175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7175?
Check Price and Availability of Y020-7175, 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 Y020-7175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7175
  • 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 Y020-7175 available by request