5701-2516 Screening compound: 1-(2-ethylphenyl)-5-propyl-1,3,5-triazinane-2-thione

5701-2516 Screening compound: 1-(2-ethylphenyl)-5-propyl-1,3,5-triazinane-2-thione
5701-2516 Screening compound: 1-(2-ethylphenyl)-5-propyl-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2516
1-(2-ethylphenyl)-5-propyl-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

5701-2516

Molecular Formula

C14H21N3S (C14 H21 N3 S)

Compound Name

1-(2-ethylphenyl)-5-propyl-1,3,5-triazinane-2-thione

IUPAC name

1-(2-ethylphenyl)-5-propyl-135-triazinane-2-thione

SMILES

CCCN(CN1)CN(c2c(CC)cccc2)C1=S

InChI

InChI=1S/C14H21N3S/c1-3-9-16-10-15-14(18)17(11-16)13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,18)

InChI Key

SLWYCUMRDFBISP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-3.86

Polar Surface Area

17.881

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5701-2516 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5701-2516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2516?
Check Price and Availability of 5701-2516, 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 5701-2516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2516
  • 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 5701-2516 available by request