D481-0141 Screening compound: N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

D481-0141 Screening compound: N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
D481-0141 Screening compound: N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0141
N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

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

D481-0141

Molecular Formula

C25H28N6O3 (C25 H28 N6 O3)

Compound Name

N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

IUPAC name

N-(4-ethoxyphenyl)-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O

InChI

InChI=1S/C25H28N6O3/c1-4-34-20-11-9-19(10-12-20)28-22(32)14-13-21-17(3)27-25-29-24(30-31(25)23(21)33)26-15-18-7-5-16(2)6-8-18/h5-12H,4,13-15H2,1-3H3,(H,28,32)(H2,26,27,29,30)

InChI Key

HPLGCCMWPOIVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.52

Polar Surface Area

91.893

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D481-0141 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D481-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0141?
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What is the minimum amount of D481-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0141
  • 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 D481-0141 available by request