8012-4944 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-1,3,5-triazine-2,4,6-triamine

8012-4944 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-1,3,5-triazine-2,4,6-triamine
8012-4944 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4944
N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-1,3,5-triazine-2,4,6-triamine

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

8012-4944

Molecular Formula

C15H19ClF2N6O (C15 H19 ClF2 N6 O)

Compound Name

N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-1,3,5-triazine-2,4,6-triamine

IUPAC name

N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-N6-methyl-135-triazine-246-triamine

SMILES

CC(C)(C)Nc1nc(NC)nc(Nc(cc2)ccc2OC(F)(F)Cl)n1

InChI

InChI=1S/C15H19ClF2N6O/c1-14(2,3)24-13-22-11(19-4)21-12(23-13)20-9-5-7-10(8-6-9)25-15(16,17)18/h5-8H,1-4H3,(H3,19,20,21,22,23,24)

InChI Key

FOWNDPZJPYCWNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.82

Polar Surface Area

68.904

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8012-4944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4944?
Check Price and Availability of 8012-4944, 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 8012-4944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4944
  • 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 8012-4944 available by request