G786-1825 Screening compound: 2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

G786-1825 Screening compound: 2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
G786-1825 Screening compound: 2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1825
2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

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

G786-1825

Molecular Formula

C21H20N6O4S (C21 H20 N6 O4 S)

Compound Name

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

IUPAC name

2-{[68-dimethyl-2-(2-methylphenyl)-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSc2nc(-c3c(C)cccc3)nc(N(C)C(N3C)=O)c2C3=O)=O)no1

InChI

InChI=1S/C21H20N6O4S/c1-11-7-5-6-8-13(11)17-23-18-16(20(29)27(4)21(30)26(18)3)19(24-17)32-10-15(28)22-14-9-12(2)31-25-14/h5-9H,10H2,1-4H3,(H,22,25,28)

InChI Key

MAYQLKCVGQPZBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05944498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.83

Polar Surface Area

95.729

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G786-1825 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with G786-1825 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G786-1825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1825
  • 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 G786-1825 available by request