D472-0961 Screening compound: 4-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether

D472-0961 Screening compound: 4-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether
D472-0961 Screening compound: 4-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0961
4-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether

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

D472-0961

Molecular Formula

C26H28N6O2 (C26 H28 N6 O2)

Compound Name

4-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether

IUPAC name

10-[2-(34-diethoxyphenyl)ethyl]-1112-dimethyl-4-(pyridin-3-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CCOc(ccc(CCn(c(C)c1C)c2c1c1nc(-c3cnccc3)nn1cn2)c1)c1OCC

InChI

InChI=1S/C26H28N6O2/c1-5-33-21-10-9-19(14-22(21)34-6-2)11-13-31-18(4)17(3)23-25(31)28-16-32-26(23)29-24(30-32)20-8-7-12-27-15-20/h7-10,12,14-16H,5-6,11,13H2,1-4H3

InChI Key

ACTVYFMTRGPOIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-3.38

Polar Surface Area

55.991

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D472-0961 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0961?
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What is the minimum amount of D472-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0961
  • 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 D472-0961 available by request