G786-1863 Screening compound: 2-{[2-(3-methoxyphenyl)-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

G786-1863 Screening compound: 2-{[2-(3-methoxyphenyl)-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
G786-1863 Screening compound: 2-{[2-(3-methoxyphenyl)-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 G786-1863
2-{[2-(3-methoxyphenyl)-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

G786-1863

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

2-{[2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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)Sc1nc(-c2cc(OC)ccc2)nc(N(C)C(N2C)=O)c1C2=O)=O

InChI

InChI=1S/C21H23N5O5S/c1-11(27)15(20(29)24(2)3)32-18-14-17(25(4)21(30)26(5)19(14)28)22-16(23-18)12-8-7-9-13(10-12)31-6/h7-10,15H,1-6H3/t15-/m0/s1

InChI Key

WNIFYZKSBSFSFG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05945748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.93

Polar Surface Area

88.427

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G786-1863 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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 G786-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1863?
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What is the minimum amount of G786-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1863
  • 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 G786-1863 available by request