D179-0166 Screening compound: N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine

D179-0166 Screening compound: N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine
D179-0166 Screening compound: N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0166
N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine

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

D179-0166

Molecular Formula

C18H27N7O3 (C18 H27 N7 O3)

Compound Name

N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine

IUPAC name

N-(2-methylpropyl)-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-135-triazin-2-amine

SMILES

CCCOc(cc1)nnc1Oc1nc(NCC(C)C)nc(N2CCOCC2)n1

InChI

InChI=1S/C18H27N7O3/c1-4-9-27-14-5-6-15(24-23-14)28-18-21-16(19-12-13(2)3)20-17(22-18)25-7-10-26-11-8-25/h5-6,13H,4,7-12H2,1-3H3,(H,19,20,21,22)

InChI Key

LRWAGNUEYHWEMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.94

Polar Surface Area

87.543

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D179-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D179-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0166?
Check Price and Availability of D179-0166, 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 D179-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0166
  • 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 D179-0166 available by request