G786-1706 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

G786-1706 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
G786-1706 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1706
1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-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

G786-1706

Molecular Formula

C19H27N5O3S (C19 H27 N5 O3 S)

Compound Name

1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-propyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CCCc1nc(N(C)C(N(C)C2=O)=O)c2c(SCC(N2CCC(C)CC2)=O)n1

InChI

InChI=1S/C19H27N5O3S/c1-5-6-13-20-16-15(18(26)23(4)19(27)22(16)3)17(21-13)28-11-14(25)24-9-7-12(2)8-10-24/h12H,5-11H2,1-4H3

InChI Key

WDWYJONPGDKDRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.18

Polar Surface Area

68.438

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

G786-1706 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G786-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1706?
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What is the minimum amount of G786-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1706
  • 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 G786-1706 available by request