D481-0105 Screening compound: N-butyl-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

D481-0105 Screening compound: N-butyl-3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
D481-0105 Screening compound: N-butyl-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 D481-0105
N-butyl-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

D481-0105

Molecular Formula

C21H28N6O2 (C21 H28 N6 O2)

Compound Name

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

SMILES

CCCCNC(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O

InChI

InChI=1S/C21H28N6O2/c1-4-5-12-22-18(28)11-10-17-15(3)24-21-25-20(26-27(21)19(17)29)23-13-16-8-6-14(2)7-9-16/h6-9H,4-5,10-13H2,1-3H3,(H,22,28)(H2,23,24,25,26)

InChI Key

CCPBWOBQNLPYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.95

Polar Surface Area

86.205

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D481-0105 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 D481-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0105?
Check Price and Availability of D481-0105, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D481-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0105
  • 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 D481-0105 available by request