D481-0204 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-(4-methylpyridin-2-yl)propanamide

D481-0204 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-(4-methylpyridin-2-yl)propanamide
D481-0204 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-(4-methylpyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0204
3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpyridin-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

D481-0204

Molecular Formula

C20H21N7O2S (C20 H21 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-(4-methylpyridin-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-(4-methylpyridin-2-yl)propanamide

SMILES

Cc1cc(NC(CCC2=C(C)Nc3nc(NCc4cccs4)nn3C2=O)=O)ncc1

InChI

InChI=1S/C20H21N7O2S/c1-12-7-8-21-16(10-12)24-17(28)6-5-15-13(2)23-20-25-19(26-27(20)18(15)29)22-11-14-4-3-9-30-14/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,24,28)(H2,22,23,25,26)

InChI Key

BMCYOMWPZAMUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

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

2.255

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-2.81

Polar Surface Area

95.403

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-0204 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • 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 D481-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0204?
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What is the minimum amount of D481-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0204
  • 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 D481-0204 available by request