5701-2354 Screening compound: 5-benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione

5701-2354 Screening compound: 5-benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
5701-2354 Screening compound: 5-benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2354
5-benzyl-1-(3-ethoxypropyl)-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

5701-2354

Molecular Formula

C15H23N3OS (C15 H23 N3 OS)

Compound Name

5-benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione

IUPAC name

5-benzyl-1-(3-ethoxypropyl)-135-triazinane-2-thione

SMILES

CCOCCCN(CN(Cc1ccccc1)CN1)C1=S

InChI

InChI=1S/C15H23N3OS/c1-2-19-10-6-9-18-13-17(12-16-15(18)20)11-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,16,20)

InChI Key

OTZHWKCJSVQOPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.52

Polar Surface Area

26.606

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 5701-2354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2354?
Check Price and Availability of 5701-2354, 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 5701-2354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2354
  • 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 5701-2354 available by request