8014-1920 Screening compound: 1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

8014-1920 Screening compound: 1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
8014-1920 Screening compound: 1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1920
1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-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

8014-1920

Molecular Formula

C11H12N8O4S (C11 H12 N8 O4 S)

Compound Name

1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

137-trimethyl-8-[(1-methyl-3-nitro-1H-124-triazol-5-yl)sulfanyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Sc2nc([N+]([O-])=O)nn2C)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C11H12N8O4S/c1-15-5-6(16(2)11(21)17(3)7(5)20)12-9(15)24-10-13-8(19(22)23)14-18(10)4/h1-4H3

InChI Key

YZGKZAFJFYTIBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.767

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-1.29

Polar Surface Area

101.330

Acid Dissociation Constant (pKa)

25.14

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8014-1920 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1920?
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What is the minimum amount of 8014-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1920
  • 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 8014-1920 available by request