G786-1855 Screening compound: N-benzyl-2-{[2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide

G786-1855 Screening compound: N-benzyl-2-{[2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
G786-1855 Screening compound: N-benzyl-2-{[2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1855
N-benzyl-2-{[2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}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

G786-1855

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

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

IUPAC name

N-benzyl-2-{[2-(2-methoxyphenyl)-68-dimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CN(c1c(C(N2C)=O)c(SCC(NCc3ccccc3)=O)nc(-c(cccc3)c3OC)n1)C2=O

InChI

InChI=1S/C24H23N5O4S/c1-28-21-19(23(31)29(2)24(28)32)22(27-20(26-21)16-11-7-8-12-17(16)33-3)34-14-18(30)25-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,25,30)

InChI Key

XAJQLSIUKFCCKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05945541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.67

Polar Surface Area

82.886

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G786-1855 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G786-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1855?
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What is the minimum amount of G786-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1855
  • 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 G786-1855 available by request