D584-4006 Screening compound: 6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D584-4006 Screening compound: 6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D584-4006 Screening compound: 6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4006
6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D584-4006

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-benzyl-5-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(N(CC(N1CCCC1)=O)c1nc(-c2ccccc2)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H25N5O2/c1-18-21(16-19-10-4-2-5-11-19)24(32)30-25(26-23(27-30)20-12-6-3-7-13-20)29(18)17-22(31)28-14-8-9-15-28/h2-7,10-13H,8-9,14-17H2,1H3

InChI Key

HBSOMRQTWHFSFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.85

Polar Surface Area

54.969

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D584-4006 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D584-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4006?
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What is the minimum amount of D584-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4006
  • 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 D584-4006 available by request