5300-0092 Screening compound: 1-(2-methoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

5300-0092 Screening compound: 1-(2-methoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
5300-0092 Screening compound: 1-(2-methoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5300-0092
1-(2-methoxyphenyl)-6,6-dimethyl-1,6-dihydro-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

5300-0092

Molecular Formula

C12H17N5O (C12 H17 N5 O)

Compound Name

1-(2-methoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

IUPAC name

1-(2-methoxyphenyl)-66-dimethyl-16-dihydro-135-triazine-24-diamine

SMILES

CC1(C)N=C(N)N=C(N)N1c(cccc1)c1OC

InChI

InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-6-4-5-7-9(8)18-3/h4-7H,1-3H3,(H4,13,14,15,16)

InChI Key

RUOLLCCIBLTUCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838854

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

-10.049

Water Solubility, LogSw

-1.37

Polar Surface Area

70.094

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

12.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5300-0092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5300-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5300-0092?
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What is the minimum amount of 5300-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5300-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5300-0092
  • 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 5300-0092 available by request