G786-1767 Screening compound: 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

G786-1767 Screening compound: 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
G786-1767 Screening compound: 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1767
5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)-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

G786-1767

Molecular Formula

C26H33N5O3S (C26 H33 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cc1nc(N(C)C(N(C)C2=O)=O)c2c(SCC(N2CCC(Cc3ccccc3)CC2)=O)n1

InChI

InChI=1S/C26H33N5O3S/c1-17(2)14-20-27-23-22(25(33)30(4)26(34)29(23)3)24(28-20)35-16-21(32)31-12-10-19(11-13-31)15-18-8-6-5-7-9-18/h5-9,17,19H,10-16H2,1-4H3

InChI Key

LURIITAERHXPFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05943812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-4.77

Polar Surface Area

68.167

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G786-1767 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with G786-1767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1767?
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What is the minimum amount of G786-1767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1767
  • 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 G786-1767 available by request