D472-1041 Screening compound: N-[2-(8,9-dimethyl-2-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-N,N-diethylamine

D472-1041 Screening compound: N-[2-(8,9-dimethyl-2-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-N,N-diethylamine
D472-1041 Screening compound: N-[2-(8,9-dimethyl-2-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1041
N-[2-(8,9-dimethyl-2-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl]-N,N-diethylamine

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

D472-1041

Molecular Formula

C21H26N6 (C21 H26 N6)

Compound Name

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

IUPAC name

(2-{1112-dimethyl-4-phenyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl}ethyl)diethylamine

SMILES

CCN(CC)CCn(c(C)c1C)c2c1c1nc(-c3ccccc3)nn1cn2

InChI

InChI=1S/C21H26N6/c1-5-25(6-2)12-13-26-16(4)15(3)18-20(26)22-14-27-21(18)23-19(24-27)17-10-8-7-9-11-17/h7-11,14H,5-6,12-13H2,1-4H3

InChI Key

KTPAWMFYAJXRBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-4.16

Polar Surface Area

35.735

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D472-1041 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D472-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1041?
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What is the minimum amount of D472-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1041
  • 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 D472-1041 available by request