4386-4054 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl 2-(2,4-dichlorophenoxy)acetate

4386-4054 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl 2-(2,4-dichlorophenoxy)acetate
4386-4054 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl 2-(2,4-dichlorophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4054
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl 2-(2,4-dichlorophenoxy)acetate

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

4386-4054

Molecular Formula

C17H21Cl2N5O3S (C17 H21 Cl2 N5 O3 S)

Compound Name

2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl 2-(2,4-dichlorophenoxy)acetate

IUPAC name

2-{[46-bis(dimethylamino)-135-triazin-2-yl]sulfanyl}ethyl 2-(24-dichlorophenoxy)acetate

SMILES

CN(C)c1nc(SCCOC(COc(ccc(Cl)c2)c2Cl)=O)nc(N(C)C)n1

InChI

InChI=1S/C17H21Cl2N5O3S/c1-23(2)15-20-16(24(3)4)22-17(21-15)28-8-7-26-14(25)10-27-13-6-5-11(18)9-12(13)19/h5-6,9H,7-8,10H2,1-4H3

InChI Key

LTGJEFGBLZTULB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.23

Polar Surface Area

60.057

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4386-4054 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4386-4054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4054?
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What is the minimum amount of 4386-4054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4054
  • 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 4386-4054 available by request