D298-0659 Screening compound: 2-{[4-(methylsulfanyl)benzyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D298-0659 Screening compound: 2-{[4-(methylsulfanyl)benzyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D298-0659 Screening compound: 2-{[4-(methylsulfanyl)benzyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0659
2-{[4-(methylsulfanyl)benzyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-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

D298-0659

Molecular Formula

C16H17N5OS (C16 H17 N5 OS)

Compound Name

2-{[4-(methylsulfanyl)benzyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

IUPAC name

11-({[4-(methylsulfanyl)phenyl]methyl}amino)-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-2-one

SMILES

CSc1ccc(CNc(nc2NC3=C4CCC3)nn2C4=O)cc1

InChI

InChI=1S/C16H17N5OS/c1-23-11-7-5-10(6-8-11)9-17-15-19-16-18-13-4-2-3-12(13)14(22)21(16)20-15/h5-8H,2-4,9H2,1H3,(H2,17,18,19,20)

InChI Key

WMANOKSZLCAPHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-2.91

Polar Surface Area

62.577

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D298-0659 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D298-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0659?
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What is the minimum amount of D298-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0659
  • 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 D298-0659 available by request