D472-0515 Screening compound: 2-(3,4-dimethoxyphenyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0515 Screening compound: 2-(3,4-dimethoxyphenyl)-8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0515 Screening compound: 2-(3,4-dimethoxyphenyl)-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 D472-0515
2-(3,4-dimethoxyphenyl)-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

D472-0515

Molecular Formula

C23H22N6O2 (C23 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cc4)cc(OC)c4OC)nc13)c(C)n2-c1ncccc1C

InChI

InChI=1S/C23H22N6O2/c1-13-7-6-10-24-21(13)29-15(3)14(2)19-22(29)25-12-28-23(19)26-20(27-28)16-8-9-17(30-4)18(11-16)31-5/h6-12H,1-5H3

InChI Key

YMSLYVXGTZMVRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-4.20

Polar Surface Area

57.059

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D472-0515 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0515?
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What is the minimum amount of D472-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0515
  • 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 D472-0515 available by request