D183-0114 Screening compound: methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate

D183-0114 Screening compound: methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate
D183-0114 Screening compound: methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D183-0114
methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate

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

D183-0114

Molecular Formula

C20H23N7O4 (C20 H23 N7 O4)

Compound Name

methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate

IUPAC name

methyl 2-[(6-{[4-(dimethylamino)-6-[(4-methylphenyl)amino]-135-triazin-2-yl]oxy}pyridazin-3-yl)oxy]propanoate

SMILES

CC(C(OC)=O)Oc(cc1)nnc1Oc1nc(N(C)C)nc(Nc2ccc(C)cc2)n1

InChI

InChI=1S/C20H23N7O4/c1-12-6-8-14(9-7-12)21-18-22-19(27(3)4)24-20(23-18)31-16-11-10-15(25-26-16)30-13(2)17(28)29-5/h6-11,13H,1-5H3,(H,21,22,23,24)/t13-/m0/s1

InChI Key

ZJUIWDHHHOGGGZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06177828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.07

Polar Surface Area

97.938

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D183-0114 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 D183-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D183-0114?
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What is the minimum amount of D183-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D183-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D183-0114
  • 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 D183-0114 available by request