D472-0483 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0483 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0483 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0483
8,9-dimethyl-2-(2-methylphenyl)-7-(3-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

D472-0483

Molecular Formula

C21H18N6 (C21 H18 N6)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c4c(C)cccc4)nc13)c(C)n2-c1cnccc1

InChI

InChI=1S/C21H18N6/c1-13-7-4-5-9-17(13)19-24-21-18-14(2)15(3)27(16-8-6-10-22-11-16)20(18)23-12-26(21)25-19/h4-12H,1-3H3

InChI Key

WBWIZMXHUOPNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.69

Polar Surface Area

42.335

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D472-0483 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D472-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0483?
Check Price and Availability of D472-0483, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D472-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0483
  • 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 D472-0483 available by request