D584-4205 Screening compound: 6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D584-4205 Screening compound: 6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D584-4205 Screening compound: 6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4205
6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

D584-4205

Molecular Formula

C28H31N5O2 (C28 H31 N5 O2)

Compound Name

6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(CC1)CCN1C(CN(c1nc(-c2ccc(C)cc2)nn11)C(C)=C(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C28H31N5O2/c1-19-9-11-23(12-10-19)26-29-28-32(18-25(34)31-15-13-20(2)14-16-31)21(3)24(27(35)33(28)30-26)17-22-7-5-4-6-8-22/h4-12,20H,13-18H2,1-3H3

InChI Key

UIPPEMLGZNUTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

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

4.817

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.59

Polar Surface Area

54.603

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D584-4205 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 D584-4205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4205?
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What is the minimum amount of D584-4205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4205
  • 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 D584-4205 available by request