D179-0158 Screening compound: methyl 2-[(6-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate

D179-0158 Screening compound: methyl 2-[(6-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate
D179-0158 Screening compound: methyl 2-[(6-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0158
methyl 2-[(6-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate

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

D179-0158

Molecular Formula

C13H16N6O5 (C13 H16 N6 O5)

Compound Name

methyl 2-[(6-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate

IUPAC name

methyl 2-[(6-{[4-(ethylamino)-6-methoxy-135-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetate

SMILES

CCNc1nc(Oc(cc2)nnc2OCC(OC)=O)nc(OC)n1

InChI

InChI=1S/C13H16N6O5/c1-4-14-11-15-12(22-3)17-13(16-11)24-9-6-5-8(18-19-9)23-7-10(20)21-2/h5-6H,4,7H2,1-3H3,(H,14,15,16,17)

InChI Key

VWSLRTBMQRMZNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-1.95

Polar Surface Area

104.886

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D179-0158 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 D179-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0158?
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What is the minimum amount of D179-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0158
  • 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 D179-0158 available by request