Y502-0845 Screening compound: 5-benzyl-1-(tetrahydro-2-furanylmethyl)-1,3,5-triazinane-2-thione

Y502-0845 Screening compound: 5-benzyl-1-(tetrahydro-2-furanylmethyl)-1,3,5-triazinane-2-thione
Y502-0845 Screening compound: 5-benzyl-1-(tetrahydro-2-furanylmethyl)-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-0845
5-benzyl-1-(tetrahydro-2-furanylmethyl)-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

Y502-0845

Molecular Formula

C15H21N3OS (C15 H21 N3 OS)

Compound Name

5-benzyl-1-(tetrahydro-2-furanylmethyl)-1,3,5-triazinane-2-thione

IUPAC name

5-benzyl-1-[(oxolan-2-yl)methyl]-135-triazinane-2-thione

SMILES

S=C1N(CC2OCCC2)CN(Cc2ccccc2)CN1

InChI

InChI=1S/C15H21N3OS/c20-15-16-11-17(9-13-5-2-1-3-6-13)12-18(15)10-14-7-4-8-19-14/h1-3,5-6,14H,4,7-12H2,(H,16,20)/t14-/m1/s1

InChI Key

UWSROYBMRJHGNC-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-2.25

Polar Surface Area

27.033

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

Y502-0845 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 Y502-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0845?
Check Price and Availability of Y502-0845, 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 Y502-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0845
  • 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 Y502-0845 available by request