D472-0520 Screening compound: 2-(4-methoxybenzyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0520 Screening compound: 2-(4-methoxybenzyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0520 Screening compound: 2-(4-methoxybenzyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0520
2-(4-methoxybenzyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D472-0520

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

2-(4-methoxybenzyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[(4-methoxyphenyl)methyl]-1112-dimethyl-10-(3-methylpyridin-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(Cc(cc4)ccc4OC)nc13)c(C)n2-c1ncccc1C

InChI

InChI=1S/C23H22N6O/c1-14-6-5-11-24-21(14)29-16(3)15(2)20-22(29)25-13-28-23(20)26-19(27-28)12-17-7-9-18(30-4)10-8-17/h5-11,13H,12H2,1-4H3

InChI Key

XYTBCZTWHMKAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

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

3.909

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-4.32

Polar Surface Area

50.332

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D472-0520 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0520?
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What is the minimum amount of D472-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0520
  • 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 D472-0520 available by request