8011-9079 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

8011-9079 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
8011-9079 Screening compound: N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9079
N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(2,2,2-trifluoroethoxy)-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

8011-9079

Molecular Formula

C13H11ClF5N5O2 (C13 H11 ClF5 N5 O2)

Compound Name

N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[4-(chlorodifluoromethoxy)phenyl]-N4-methyl-6-(222-trifluoroethoxy)-135-triazine-24-diamine

SMILES

CNc1nc(Nc(cc2)ccc2OC(F)(F)Cl)nc(OCC(F)(F)F)n1

InChI

InChI=1S/C13H11ClF5N5O2/c1-20-9-22-10(24-11(23-9)25-6-12(15,16)17)21-7-2-4-8(5-3-7)26-13(14,18)19/h2-5H,6H2,1H3,(H2,20,21,22,23,24)

InChI Key

MKEDQPGMYUGSSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

4.941

Water Solubility, LogSw

-4.88

Polar Surface Area

65.740

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8011-9079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9079?
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What is the minimum amount of 8011-9079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9079
  • 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 8011-9079 available by request