D472-0045 Screening compound: 8,9-dimethyl-2-(3-methylphenyl)-7-(2-pyridylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0045 Screening compound: 8,9-dimethyl-2-(3-methylphenyl)-7-(2-pyridylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0045 Screening compound: 8,9-dimethyl-2-(3-methylphenyl)-7-(2-pyridylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0045
8,9-dimethyl-2-(3-methylphenyl)-7-(2-pyridylmethyl)-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

D472-0045

Molecular Formula

C22H20N6 (C22 H20 N6)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)n(Cc2ncccc2)c2c1c1nc(-c3cc(C)ccc3)nn1cn2

InChI

InChI=1S/C22H20N6/c1-14-7-6-8-17(11-14)20-25-22-19-15(2)16(3)27(12-18-9-4-5-10-23-18)21(19)24-13-28(22)26-20/h4-11,13H,12H2,1-3H3

InChI Key

FLATVBWXLSDEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-4.15

Polar Surface Area

41.617

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D472-0045 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 D472-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0045?
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What is the minimum amount of D472-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0045
  • 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 D472-0045 available by request