D163-0021 Screening compound: N-butyl-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine

D163-0021 Screening compound: N-butyl-4-(morpholin-4-yl)-6-[(6-propoxypyridazin-3-yl)oxy]-1,3,5-triazin-2-amine
D163-0021 Screening compound: N-butyl-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 D163-0021
N-butyl-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

D163-0021

Molecular Formula

C18H27N7O3 (C18 H27 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNc1nc(N2CCOCC2)nc(Oc(cc2)nnc2OCCC)n1

InChI

InChI=1S/C18H27N7O3/c1-3-5-8-19-16-20-17(25-9-12-26-13-10-25)22-18(21-16)28-15-7-6-14(23-24-15)27-11-4-2/h6-7H,3-5,8-13H2,1-2H3,(H,19,20,21,22)

InChI Key

ZGWZSMKIKOLOEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813098

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

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-3.92

Polar Surface Area

87.385

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D163-0021 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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 D163-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0021?
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What is the minimum amount of D163-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0021
  • 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 D163-0021 available by request