4658-0194 Screening compound: 1,3,5-tris(3,4-dimethylphenyl)-1,3,5-triazinane

4658-0194 Screening compound: 1,3,5-tris(3,4-dimethylphenyl)-1,3,5-triazinane
4658-0194 Screening compound: 1,3,5-tris(3,4-dimethylphenyl)-1,3,5-triazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4658-0194
1,3,5-tris(3,4-dimethylphenyl)-1,3,5-triazinane

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

4658-0194

Molecular Formula

C27H33N3 (C27 H33 N3)

Compound Name

1,3,5-tris(3,4-dimethylphenyl)-1,3,5-triazinane

IUPAC name

135-tris(34-dimethylphenyl)-135-triazinane

SMILES

Cc(cc1)c(C)cc1N(CN(C1)c2cc(C)c(C)cc2)CN1c1cc(C)c(C)cc1

InChI

InChI=1S/C27H33N3/c1-19-7-10-25(13-22(19)4)28-16-29(26-11-8-20(2)23(5)14-26)18-30(17-28)27-12-9-21(3)24(6)15-27/h7-15H,16-18H2,1-6H3

InChI Key

FYRROQVQVGEDAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.58

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.041

Distribution Coefficient, logD

9.041

Water Solubility, LogSw

-5.87

Polar Surface Area

12.431

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4658-0194 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4658-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4658-0194?
Check Price and Availability of 4658-0194, 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 4658-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4658-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4658-0194
  • 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 4658-0194 available by request