8004-9317 Screening compound: 2,4,6-tris(benzhydrylsulfanyl)-1,3,5-triazine

8004-9317 Screening compound: 2,4,6-tris(benzhydrylsulfanyl)-1,3,5-triazine
8004-9317 Screening compound: 2,4,6-tris(benzhydrylsulfanyl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9317
2,4,6-tris(benzhydrylsulfanyl)-1,3,5-triazine

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

8004-9317

Molecular Formula

C42H33N3S3 (C42 H33 N3 S3)

Compound Name

2,4,6-tris(benzhydrylsulfanyl)-1,3,5-triazine

IUPAC name

tris[(diphenylmethyl)sulfanyl]-135-triazine

SMILES

c1ccc(C(c2ccccc2)Sc2nc(SC(c3ccccc3)c3ccccc3)nc(SC(c3ccccc3)c3ccccc3)n2)cc1

InChI

InChI=1S/C42H33N3S3/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)46-40-43-41(47-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)45-42(44-40)48-39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H

InChI Key

ZTBYILWRJNCHGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

13.620

Distribution Coefficient, logD

13.620

Water Solubility, LogSw

-6.52

Polar Surface Area

24.642

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8004-9317 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 8004-9317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9317?
Check Price and Availability of 8004-9317, 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 8004-9317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9317
  • 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 8004-9317 available by request