D472-0513 Screening compound: 2-[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

D472-0513 Screening compound: 2-[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
D472-0513 Screening compound: 2-[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0513
2-[8,9-dimethyl-7-(3-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

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

D472-0513

Molecular Formula

C21H18N6O (C21 H18 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cccc4)c4O)nc13)c(C)n2-c1ncccc1C

InChI

InChI=1S/C21H18N6O/c1-12-7-6-10-22-19(12)27-14(3)13(2)17-20(27)23-11-26-21(17)24-18(25-26)15-8-4-5-9-16(15)28/h4-11,28H,1-3H3

InChI Key

HIGSFUIINDFLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.81

Polar Surface Area

58.346

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D472-0513 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D472-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0513?
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What is the minimum amount of D472-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0513
  • 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 D472-0513 available by request