G786-1676 Screening compound: 7-ethyl-1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

G786-1676 Screening compound: 7-ethyl-1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
G786-1676 Screening compound: 7-ethyl-1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1676
7-ethyl-1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-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

G786-1676

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

7-ethyl-1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

7-ethyl-13-dimethyl-5-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CCc1nc(N(C)C(N(C)C2=O)=O)c2c(SCC(N(CCC2)c3c2cccc3)=O)n1

InChI

InChI=1S/C21H23N5O3S/c1-4-15-22-18-17(20(28)25(3)21(29)24(18)2)19(23-15)30-12-16(27)26-11-7-9-13-8-5-6-10-14(13)26/h5-6,8,10H,4,7,9,11-12H2,1-3H3

InChI Key

HHFOSVIQINECFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.74

Polar Surface Area

67.103

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G786-1676 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G786-1676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1676?
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What is the minimum amount of G786-1676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1676
  • 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 G786-1676 available by request