D472-1051 Screening compound: N,N-diethyl-N-{2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}amine

D472-1051 Screening compound: N,N-diethyl-N-{2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}amine
D472-1051 Screening compound: N,N-diethyl-N-{2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1051
N,N-diethyl-N-{2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}amine

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

D472-1051

Molecular Formula

C23H30N6O (C23 H30 N6 O)

Compound Name

N,N-diethyl-N-{2-[2-(4-methoxybenzyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}amine

IUPAC name

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

SMILES

CCN(CC)CCn(c(C)c1C)c2c1c1nc(Cc(cc3)ccc3OC)nn1cn2

InChI

InChI=1S/C23H30N6O/c1-6-27(7-2)12-13-28-17(4)16(3)21-22(28)24-15-29-23(21)25-20(26-29)14-18-8-10-19(30-5)11-9-18/h8-11,15H,6-7,12-14H2,1-5H3

InChI Key

MJLIKCKLFXIFIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-3.73

Polar Surface Area

44.269

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D472-1051 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 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 D472-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1051?
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What is the minimum amount of D472-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1051
  • 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 D472-1051 available by request