D718-0266 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

D718-0266 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione
D718-0266 Screening compound: 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0266
2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

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

D718-0266

Molecular Formula

C18H17N7O2S (C18 H17 N7 O2 S)

Compound Name

2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

IUPAC name

2-(46-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H2H3H4H7H-pyrazolo[34-b]pyridine-34-dione

SMILES

Cc1ccnc(SCC(NC(NN2c3nc(C)cc(C)n3)=C3C2=O)=CC3=O)n1

InChI

InChI=1S/C18H17N7O2S/c1-9-4-5-19-18(22-9)28-8-12-7-13(26)14-15(23-12)24-25(16(14)27)17-20-10(2)6-11(3)21-17/h4-7H,8H2,1-3H3,(H2,23,24,26)

InChI Key

SCOKZOGAOBQXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08131509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

-1.160

Water Solubility, LogSw

-2.32

Polar Surface Area

87.222

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D718-0266 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D718-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0266?
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What is the minimum amount of D718-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0266
  • 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 D718-0266 available by request