5701-2337 Screening compound: 5-benzyl-1-(2,4-dimethylphenyl)-1,3,5-triazinane-2-thione

5701-2337 Screening compound: 5-benzyl-1-(2,4-dimethylphenyl)-1,3,5-triazinane-2-thione
5701-2337 Screening compound: 5-benzyl-1-(2,4-dimethylphenyl)-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2337
5-benzyl-1-(2,4-dimethylphenyl)-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

5701-2337

Molecular Formula

C18H21N3S (C18 H21 N3 S)

Compound Name

5-benzyl-1-(2,4-dimethylphenyl)-1,3,5-triazinane-2-thione

IUPAC name

5-benzyl-1-(24-dimethylphenyl)-135-triazinane-2-thione

SMILES

Cc(cc1)cc(C)c1N(CN(Cc1ccccc1)CN1)C1=S

InChI

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

InChI Key

ZDMPITQCEQMMBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.29

Polar Surface Area

17.631

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5701-2337 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 5701-2337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2337?
Check Price and Availability of 5701-2337, 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 5701-2337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2337
  • 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 5701-2337 available by request