D163-0008 Screening compound: 6-{[4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one

D163-0008 Screening compound: 6-{[4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one
D163-0008 Screening compound: 6-{[4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0008
6-{[4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one

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

D163-0008

Molecular Formula

C21H27N7O2 (C21 H27 N7 O2)

Compound Name

6-{[4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one

IUPAC name

6-{[4-(butylamino)-6-(diethylamino)-135-triazin-2-yl]oxy}-2-phenyl-23-dihydropyridazin-3-one

SMILES

CCCCNc1nc(OC(C=C2)=NN(c3ccccc3)C2=O)nc(N(CC)CC)n1

InChI

InChI=1S/C21H27N7O2/c1-4-7-15-22-19-23-20(27(5-2)6-3)25-21(24-19)30-17-13-14-18(29)28(26-17)16-11-9-8-10-12-16/h8-14H,4-7,15H2,1-3H3,(H,22,23,24,25)

InChI Key

IWHAFUGPFUVGGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.50

Polar Surface Area

78.045

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D163-0008 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D163-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0008?
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What is the minimum amount of D163-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0008
  • 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 D163-0008 available by request