D163-0026 Screening compound: 6-{[4-(dimethylamino)-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one

D163-0026 Screening compound: 6-{[4-(dimethylamino)-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one
D163-0026 Screening compound: 6-{[4-(dimethylamino)-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]oxy}-2-phenyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0026
6-{[4-(dimethylamino)-6-[(3,4-dimethylphenyl)amino]-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

D163-0026

Molecular Formula

C23H23N7O2 (C23 H23 N7 O2)

Compound Name

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

IUPAC name

6-{[4-(dimethylamino)-6-[(34-dimethylphenyl)amino]-135-triazin-2-yl]oxy}-2-phenyl-23-dihydropyridazin-3-one

SMILES

Cc(cc1)c(C)cc1Nc1nc(OC(C=C2)=NN(c3ccccc3)C2=O)nc(N(C)C)n1

InChI

InChI=1S/C23H23N7O2/c1-15-10-11-17(14-16(15)2)24-21-25-22(29(3)4)27-23(26-21)32-19-12-13-20(31)30(28-19)18-8-6-5-7-9-18/h5-14H,1-4H3,(H,24,25,26,27)

InChI Key

GNDOTUYDWAPMQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.93

Polar Surface Area

76.678

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D163-0026 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 D163-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0026?
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What is the minimum amount of D163-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0026
  • 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 D163-0026 available by request