Y020-7302 Screening compound: 5-propyl-1-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-1,3,5-triazinane-2-thione

Y020-7302 Screening compound: 5-propyl-1-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-1,3,5-triazinane-2-thione
Y020-7302 Screening compound: 5-propyl-1-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7302
5-propyl-1-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-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

Y020-7302

Molecular Formula

C12H24N6S2 (C12 H24 N6 S2)

Compound Name

5-propyl-1-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-1,3,5-triazinane-2-thione

IUPAC name

5-propyl-1-(5-propyl-2-sulfanylidene-135-triazinan-1-yl)-135-triazinane-2-thione

SMILES

CCCN(CNC1=S)CN1N(CN(CCC)CN1)C1=S

InChI

InChI=1S/C12H24N6S2/c1-3-5-15-7-13-11(19)17(9-15)18-10-16(6-4-2)8-14-12(18)20/h3-10H2,1-2H3,(H,13,19)(H,14,20)

InChI Key

SQGQLVYFPILBTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

-2.324

Water Solubility, LogSw

-1.78

Polar Surface Area

40.319

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

Y020-7302 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-7302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7302?
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What is the minimum amount of Y020-7302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7302
  • 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 Y020-7302 available by request