D481-0058 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D481-0058 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D481-0058 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0058
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-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

D481-0058

Molecular Formula

C21H25ClN6O2 (C21 H25 ClN6 O2)

Compound Name

2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(Nc1nc(NCc(cc2)ccc2Cl)nn11)=C(CCC(N2CCCCC2)=O)C1=O

InChI

InChI=1S/C21H25ClN6O2/c1-14-17(9-10-18(29)27-11-3-2-4-12-27)19(30)28-21(24-14)25-20(26-28)23-13-15-5-7-16(22)8-6-15/h5-8H,2-4,9-13H2,1H3,(H2,23,24,25,26)

InChI Key

CSCSABYECASHSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.56

Polar Surface Area

78.013

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D481-0058 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D481-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0058?
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What is the minimum amount of D481-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0058
  • 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 D481-0058 available by request