G856-5808 Screening compound: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

G856-5808 Screening compound: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
G856-5808 Screening compound: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5808
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-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

G856-5808

Molecular Formula

C24H24N10O4S (C24 H24 N10 O4 S)

Compound Name

8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CCSc3nnnn3-c3ccccc3)c(N(CC3)CCN3C(c3ccco3)=O)n1)C2=O

InChI

InChI=1S/C24H24N10O4S/c1-30-19-18(20(35)26-23(30)37)33(13-15-39-24-27-28-29-34(24)16-6-3-2-4-7-16)22(25-19)32-11-9-31(10-12-32)21(36)17-8-5-14-38-17/h2-8,14H,9-13,15H2,1H3,(H,26,35,37)

InChI Key

DVCGIQHOVXJSOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.54

Polar Surface Area

119.546

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G856-5808 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G856-5808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5808?
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What is the minimum amount of G856-5808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5808
  • 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 G856-5808 available by request