D472-1046 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine

D472-1046 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine
D472-1046 Screening compound: N-{2-[2-(3,4-dimethoxyphenyl)-8,9-dimethyl-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 D472-1046
N-{2-[2-(3,4-dimethoxyphenyl)-8,9-dimethyl-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

D472-1046

Molecular Formula

C23H30N6O2 (C23 H30 N6 O2)

Compound Name

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

IUPAC name

{2-[4-(34-dimethoxyphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]ethyl}diethylamine

SMILES

CCN(CC)CCn(c(C)c1C)c2c1c1nc(-c(cc3)cc(OC)c3OC)nn1cn2

InChI

InChI=1S/C23H30N6O2/c1-7-27(8-2)11-12-28-16(4)15(3)20-22(28)24-14-29-23(20)25-21(26-29)17-9-10-18(30-5)19(13-17)31-6/h9-10,13-14H,7-8,11-12H2,1-6H3

InChI Key

CBVFUORODKCVAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-3.74

Polar Surface Area

50.996

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D472-1046 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 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
  • Immune system
  • 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 D472-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1046?
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What is the minimum amount of D472-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1046
  • 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 D472-1046 available by request