3455-0017 Screening compound: 2-{[4,6-bis(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate

3455-0017 Screening compound: 2-{[4,6-bis(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate
3455-0017 Screening compound: 2-{[4,6-bis(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0017
2-{[4,6-bis(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate

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

3455-0017

Molecular Formula

C20H30N6O2S (C20 H30 N6 O2 S)

Compound Name

2-{[4,6-bis(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate

IUPAC name

2-{[46-bis(diethylamino)-135-triazin-2-yl]sulfanyl}ethyl N-phenylcarbamate

SMILES

CCN(CC)c1nc(SCCOC(Nc2ccccc2)=O)nc(N(CC)CC)n1

InChI

InChI=1S/C20H30N6O2S/c1-5-25(6-2)17-22-18(26(7-3)8-4)24-19(23-17)29-15-14-28-20(27)21-16-12-10-9-11-13-16/h9-13H,5-8,14-15H2,1-4H3,(H,21,27)

InChI Key

MFZJWDIBTMJVQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.675

Water Solubility, LogSw

-5.42

Polar Surface Area

63.619

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3455-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3455-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0017?
Check Price and Availability of 3455-0017, 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 3455-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0017
  • 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 3455-0017 available by request