D481-0056 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D481-0056 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D481-0056 Screening compound: 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0056
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-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

D481-0056

Molecular Formula

C22H27ClN6O2 (C22 H27 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)N1C(CCC1=C(C)Nc2nc(NCc(cc3)ccc3Cl)nn2C1=O)=O

InChI

InChI=1S/C22H27ClN6O2/c1-14-5-3-4-12-28(14)19(30)11-10-18-15(2)25-22-26-21(27-29(22)20(18)31)24-13-16-6-8-17(23)9-7-16/h6-9,14H,3-5,10-13H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1

InChI Key

PNCPZZUHUWUNGF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13919700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.95

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

3.051

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.58

Polar Surface Area

77.298

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D481-0056 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 D481-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0056?
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What is the minimum amount of D481-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0056
  • 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 D481-0056 available by request