G856-5809 Screening compound: ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate

G856-5809 Screening compound: ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate
G856-5809 Screening compound: ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5809
ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate

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

G856-5809

Molecular Formula

C22H26N10O4S (C22 H26 N10 O4 S)

Compound Name

ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(3-methyl-26-dioxo-7-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}-2367-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c1nc(N(C)C(NC2=O)=O)c2n1CCSc1nnnn1-c1ccccc1)=O

InChI

InChI=1S/C22H26N10O4S/c1-3-36-22(35)30-11-9-29(10-12-30)19-23-17-16(18(33)24-20(34)28(17)2)31(19)13-14-37-21-25-26-27-32(21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,24,33,34)

InChI Key

UQXJTANXOQQRFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04164556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.83

Polar Surface Area

117.292

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G856-5809 in Drug Discovery

Included in Screening Libraries

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 G856-5809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5809?
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What is the minimum amount of G856-5809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5809
  • 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 G856-5809 available by request