D472-0420 Screening compound: N-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)-N,N-dimethylamine

D472-0420 Screening compound: N-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)-N,N-dimethylamine
D472-0420 Screening compound: N-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0420
N-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)-N,N-dimethylamine

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

D472-0420

Molecular Formula

C24H32N6 (C24 H32 N6)

Compound Name

N-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)-N,N-dimethylamine

IUPAC name

{3-[4-(4-tert-butylphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]propyl}dimethylamine

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(cnc2c3c(C)c(C)n2CCCN(C)C)c3n1

InChI

InChI=1S/C24H32N6/c1-16-17(2)29(14-8-13-28(6)7)22-20(16)23-26-21(27-30(23)15-25-22)18-9-11-19(12-10-18)24(3,4)5/h9-12,15H,8,13-14H2,1-7H3

InChI Key

RNYREARPGBZWEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

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

4.829

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-4.78

Polar Surface Area

36.190

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

D472-0420 in Drug Discovery

Included in Screening Libraries

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:
  • 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 D472-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0420?
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What is the minimum amount of D472-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0420
  • 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 D472-0420 available by request