G786-1849 Screening compound: 2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide

G786-1849 Screening compound: 2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
G786-1849 Screening compound: 2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1849
2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide

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

G786-1849

Molecular Formula

C20H20ClN5O4S (C20 H20 ClN5 O4 S)

Compound Name

2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide

IUPAC name

2-{[2-(2-chlorophenyl)-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}-NN-dimethyl-3-oxobutanamide

SMILES

CC(C(C(N(C)C)=O)Sc(nc(-c(cccc1)c1Cl)nc1N(C)C(N2C)=O)c1C2=O)=O

InChI

InChI=1S/C20H20ClN5O4S/c1-10(27)14(19(29)24(2)3)31-17-13-16(25(4)20(30)26(5)18(13)28)22-15(23-17)11-8-6-7-9-12(11)21/h6-9,14H,1-5H3/t14-/m0/s1

InChI Key

PYQMMIZAKGURKK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05945295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-3.32

Polar Surface Area

80.883

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G786-1849 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 G786-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1849?
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What is the minimum amount of G786-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1849
  • 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 G786-1849 available by request