D472-0302 Screening compound: 4-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl ethyl ether

D472-0302 Screening compound: 4-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl ethyl ether
D472-0302 Screening compound: 4-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0302
4-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl 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

D472-0302

Molecular Formula

C22H20N6O (C22 H20 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n(c(C)c1C)c2c1c1nc(-c3cnccc3)nn1cn2

InChI

InChI=1S/C22H20N6O/c1-4-29-18-9-7-17(8-10-18)28-15(3)14(2)19-21(28)24-13-27-22(19)25-20(26-27)16-6-5-11-23-12-16/h5-13H,4H2,1-3H3

InChI Key

HMEUDLFZPAPSIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-3.32

Polar Surface Area

49.459

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D472-0302 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0302?
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What is the minimum amount of D472-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0302
  • 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 D472-0302 available by request