D481-0202 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-yl)propanamide

D481-0202 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-yl)propanamide
D481-0202 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0202
3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-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

D481-0202

Molecular Formula

C19H19N7O2S (C19 H19 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(NCc2cccs2)nn11)=C(CCC(Nc2ncccc2)=O)C1=O

InChI

InChI=1S/C19H19N7O2S/c1-12-14(7-8-16(27)23-15-6-2-3-9-20-15)17(28)26-19(22-12)24-18(25-26)21-11-13-5-4-10-29-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23,27)(H2,21,22,24,25)

InChI Key

PPJZFPXBQPXOSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-2.59

Polar Surface Area

95.403

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D481-0202 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with D481-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0202?
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What is the minimum amount of D481-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0202
  • 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 D481-0202 available by request