D472-0954 Screening compound: 4-[2-(8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-2-ethoxyphenyl ethyl ether

D472-0954 Screening compound: 4-[2-(8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-2-ethoxyphenyl ethyl ether
D472-0954 Screening compound: 4-[2-(8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-2-ethoxyphenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0954
4-[2-(8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-2-ethoxyphenyl ethyl 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

D472-0954

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

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

IUPAC name

10-[2-(34-diethoxyphenyl)ethyl]-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CCOc(ccc(CCn(c(C)c1C)c2c1c1ncnn1cn2)c1)c1OCC

InChI

InChI=1S/C21H25N5O2/c1-5-27-17-8-7-16(11-18(17)28-6-2)9-10-25-15(4)14(3)19-20(25)23-13-26-21(19)22-12-24-26/h7-8,11-13H,5-6,9-10H2,1-4H3

InChI Key

JRZFYEHJRKWAPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.06

Polar Surface Area

47.685

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D472-0954 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D472-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0954?
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What is the minimum amount of D472-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0954
  • 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 D472-0954 available by request