Y020-1813 Screening compound: N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Y020-1813 Screening compound: N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Y020-1813 Screening compound: N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1813
N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-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

Y020-1813

Molecular Formula

C18H26N6O (C18 H26 N6 O)

Compound Name

N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(2-methoxy-5-methylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-135-triazine-24-diamine

SMILES

CC1CCN(Cc2nc(Nc(cc(C)cc3)c3OC)nc(N)n2)CC1

InChI

InChI=1S/C18H26N6O/c1-12-6-8-24(9-7-12)11-16-21-17(19)23-18(22-16)20-14-10-13(2)4-5-15(14)25-3/h4-5,10,12H,6-9,11H2,1-3H3,(H3,19,20,21,22,23)

InChI Key

RTFQZLMZWSOWDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.202

Water Solubility, LogSw

-3.10

Polar Surface Area

72.273

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y020-1813 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 Y020-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1813?
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What is the minimum amount of Y020-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1813
  • 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 Y020-1813 available by request