8255-0005 Screening compound: 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetic acid

8255-0005 Screening compound: 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetic acid
8255-0005 Screening compound: 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-0005
2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetic acid

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

8255-0005

Molecular Formula

C19H21N5O4 (C19 H21 N5 O4)

Compound Name

2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetic acid

IUPAC name

2-[1-methyl-10-(4-methylphenyl)-24-dioxo-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purin-3-yl]acetic acid

SMILES

Cc(cc1)ccc1N1c2nc(N(C)C(N(CC(O)=O)C3=O)=O)c3n2CCCC1

InChI

InChI=1S/C19H21N5O4/c1-12-5-7-13(8-6-12)22-9-3-4-10-23-15-16(20-18(22)23)21(2)19(28)24(17(15)27)11-14(25)26/h5-8H,3-4,9-11H2,1-2H3,(H,25,26)

InChI Key

JGAVPESPGZMFAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01090643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

-2.392

Water Solubility, LogSw

-1.83

Polar Surface Area

73.769

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8255-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 8255-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-0005?
Check Price and Availability of 8255-0005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8255-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-0005
  • 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 8255-0005 available by request