D472-0555 Screening compound: 2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7-(6-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0555 Screening compound: 2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7-(6-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0555 Screening compound: 2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7-(6-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 D472-0555
2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7-(6-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

D472-0555

Molecular Formula

C25H26N6 (C25 H26 N6)

Compound Name

2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7-(6-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(4-tert-butylphenyl)-1112-dimethyl-10-(6-methylpyridin-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(cnc2c3c(C)c(C)n2-c2nc(C)ccc2)c3n1

InChI

InChI=1S/C25H26N6/c1-15-8-7-9-20(27-15)31-17(3)16(2)21-23(31)26-14-30-24(21)28-22(29-30)18-10-12-19(13-11-18)25(4,5)6/h7-14H,1-6H3

InChI Key

RFNYFGOJTOEFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

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

6.126

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-6.29

Polar Surface Area

40.703

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D472-0555 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D472-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0555?
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What is the minimum amount of D472-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0555
  • 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 D472-0555 available by request