D472-1031 Screening compound: N-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine

D472-1031 Screening compound: N-{2-[8,9-dimethyl-2-(3-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine
D472-1031 Screening compound: N-{2-[8,9-dimethyl-2-(3-pyridyl)-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 D472-1031
N-{2-[8,9-dimethyl-2-(3-pyridyl)-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

D472-1031

Molecular Formula

C20H25N7 (C20 H25 N7)

Compound Name

N-{2-[8,9-dimethyl-2-(3-pyridyl)-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-(pyridin-3-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]ethyl}diethylamine

SMILES

CCN(CC)CCn(c(C)c1C)c2c1c1nc(-c3cnccc3)nn1cn2

InChI

InChI=1S/C20H25N7/c1-5-25(6-2)10-11-26-15(4)14(3)17-19(26)22-13-27-20(17)23-18(24-27)16-8-7-9-21-12-16/h7-9,12-13H,5-6,10-11H2,1-4H3

InChI Key

OCBMEOLCEPHNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.361

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-1.69

Polar Surface Area

45.253

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D472-1031 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D472-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1031?
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What is the minimum amount of D472-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1031
  • 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 D472-1031 available by request