8011-9006 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

8011-9006 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
8011-9006 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9006
N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

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

8011-9006

Molecular Formula

C21H18ClF5N6O2 (C21 H18 ClF5 N6 O2)

Compound Name

N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[4-(chlorodifluoromethoxy)phenyl]-6-(morpholin-4-yl)-N4-[3-(trifluoromethyl)phenyl]-135-triazine-24-diamine

SMILES

FC(c1cccc(Nc2nc(Nc(cc3)ccc3OC(F)(F)Cl)nc(N3CCOCC3)n2)c1)(F)F

InChI

InChI=1S/C21H18ClF5N6O2/c22-21(26,27)35-16-6-4-14(5-7-16)28-17-30-18(32-19(31-17)33-8-10-34-11-9-33)29-15-3-1-2-13(12-15)20(23,24)25/h1-7,12H,8-11H2,(H2,28,29,30,31,32)

InChI Key

FSOZXHDVFYUIMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.107

Distribution Coefficient, logD

7.092

Water Solubility, LogSw

-6.96

Polar Surface Area

66.983

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8011-9006 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-9006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9006?
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What is the minimum amount of 8011-9006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9006
  • 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 8011-9006 available by request