8016-3353 Screening compound: 4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-piperidino-1,3,5-triazin-2-amine

8016-3353 Screening compound: 4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-piperidino-1,3,5-triazin-2-amine
8016-3353 Screening compound: 4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-piperidino-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3353
4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-piperidino-1,3,5-triazin-2-amine

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

8016-3353

Molecular Formula

C21H28ClN5O (C21 H28 ClN5 O)

Compound Name

4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-piperidino-1,3,5-triazin-2-amine

IUPAC name

4-[(4-chloro-2-cyclohexylphenoxy)methyl]-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

Nc1nc(COc(cc2)c(C3CCCCC3)cc2Cl)nc(N2CCCCC2)n1

InChI

InChI=1S/C21H28ClN5O/c22-16-9-10-18(17(13-16)15-7-3-1-4-8-15)28-14-19-24-20(23)26-21(25-19)27-11-5-2-6-12-27/h9-10,13,15H,1-8,11-12,14H2,(H2,23,24,25,26)

InChI Key

LZRRZJRHFGUILR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-6.20

Polar Surface Area

61.176

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

8016-3353 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-3353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3353?
Check Price and Availability of 8016-3353, 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 8016-3353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3353
  • 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 8016-3353 available by request