8011-9176 Screening compound: 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

8011-9176 Screening compound: 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
8011-9176 Screening compound: 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9176
4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-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

8011-9176

Molecular Formula

C11H8ClF3N4O (C11 H8 ClF3 N4 O)

Compound Name

4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

IUPAC name

4-chloro-N-phenyl-6-(222-trifluoroethoxy)-135-triazin-2-amine

SMILES

FC(COc1nc(Nc2ccccc2)nc(Cl)n1)(F)F

InChI

InChI=1S/C11H8ClF3N4O/c12-8-17-9(16-7-4-2-1-3-5-7)19-10(18-8)20-6-11(13,14)15/h1-5H,6H2,(H,16,17,18,19)

InChI Key

RCHZIPINSHKMMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.39

Polar Surface Area

47.185

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8011-9176 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9176?
Check Price and Availability of 8011-9176, 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 8011-9176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9176
  • 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 8011-9176 available by request