8012-5190 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine

8012-5190 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
8012-5190 Screening compound: N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5190
N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-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

8012-5190

Molecular Formula

C15H18ClF2N5O2 (C15 H18 ClF2 N5 O2)

Compound Name

N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine

IUPAC name

N2-tert-butyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-methoxy-135-triazine-24-diamine

SMILES

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

InChI

InChI=1S/C15H18ClF2N5O2/c1-14(2,3)23-12-20-11(21-13(22-12)24-4)19-9-5-7-10(8-6-9)25-15(16,17)18/h5-8H,1-4H3,(H2,19,20,21,22,23)

InChI Key

WMYKMGFTYIQSRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.511

Water Solubility, LogSw

-6.04

Polar Surface Area

64.458

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8012-5190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5190?
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What is the minimum amount of 8012-5190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5190
  • 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 8012-5190 available by request