D472-0411 Screening compound: 4-[(7-isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether

D472-0411 Screening compound: 4-[(7-isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether
D472-0411 Screening compound: 4-[(7-isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0411
4-[(7-isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether

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

D472-0411

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

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

IUPAC name

4-[(4-methoxyphenyl)methyl]-1112-dimethyl-10-(2-methylpropyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CC(C)Cn(c(C)c1C)c2c1c1nc(Cc(cc3)ccc3OC)nn1cn2

InChI

InChI=1S/C21H25N5O/c1-13(2)11-25-15(4)14(3)19-20(25)22-12-26-21(19)23-18(24-26)10-16-6-8-17(27-5)9-7-16/h6-9,12-13H,10-11H2,1-5H3

InChI Key

YSEYWGWXTFBBIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.56

Polar Surface Area

40.880

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D472-0411 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0411?
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What is the minimum amount of D472-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0411
  • 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 D472-0411 available by request