8012-3655 Screening compound: N4-benzyl-N2,N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

8012-3655 Screening compound: N4-benzyl-N2,N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
8012-3655 Screening compound: N4-benzyl-N2,N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3655
N4-benzyl-N2,N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-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

8012-3655

Molecular Formula

C19H19F3N6O (C19 H19 F3 N6 O)

Compound Name

N4-benzyl-N2,N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

IUPAC name

N4-benzyl-N2N2-dimethyl-N6-[4-(trifluoromethoxy)phenyl]-135-triazine-246-triamine

SMILES

CN(C)c1nc(NCc2ccccc2)nc(Nc(cc2)ccc2OC(F)(F)F)n1

InChI

InChI=1S/C19H19F3N6O/c1-28(2)18-26-16(23-12-13-6-4-3-5-7-13)25-17(27-18)24-14-8-10-15(11-9-14)29-19(20,21)22/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27)

InChI Key

OUHOBQPQRYPUDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.875

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.69

Polar Surface Area

59.189

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8012-3655 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-3655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3655?
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What is the minimum amount of 8012-3655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3655
  • 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 8012-3655 available by request