D584-4758 Screening compound: 4-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D584-4758 Screening compound: 4-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D584-4758 Screening compound: 4-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4758
4-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-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

D584-4758

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

4-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

IUPAC name

8-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-11-phenyl-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-2-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(C1=C2CCC1)c1nc(-c3ccccc3)nn1C2=O)=O

InChI

InChI=1S/C27H28N6O3/c1-36-23-13-6-5-11-22(23)30-14-16-31(17-15-30)24(34)18-32-21-12-7-10-20(21)26(35)33-27(32)28-25(29-33)19-8-3-2-4-9-19/h2-6,8-9,11,13H,7,10,12,14-18H2,1H3

InChI Key

RKKUXDFAIYOEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.35

Polar Surface Area

65.932

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D584-4758 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 D584-4758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4758?
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What is the minimum amount of D584-4758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4758
  • 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 D584-4758 available by request