G856-5802 Screening compound: 8-(4-ethylpiperazin-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

G856-5802 Screening compound: 8-(4-ethylpiperazin-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
G856-5802 Screening compound: 8-(4-ethylpiperazin-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 G856-5802
8-(4-ethylpiperazin-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

G856-5802

Molecular Formula

C21H26N10O2S (C21 H26 N10 O2 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C21H26N10O2S/c1-3-28-9-11-29(12-10-28)19-22-17-16(18(32)23-20(33)27(17)2)30(19)13-14-34-21-24-25-26-31(21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,23,32,33)

InChI Key

KWHKBWHKUTTZSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

0.117

Water Solubility, LogSw

-2.43

Polar Surface Area

98.049

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G856-5802 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 G856-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5802?
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What is the minimum amount of G856-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5802
  • 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 G856-5802 available by request