8255-1228 Screening compound: 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid

8255-1228 Screening compound: 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid
8255-1228 Screening compound: 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-1228
2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[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

8255-1228

Molecular Formula

C18H18BrN5O4 (C18 H18 BrN5 O4)

Compound Name

2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid

IUPAC name

2-[9-(4-bromophenyl)-17-dimethyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetic acid

SMILES

CC(Cn1c2nc(N(C)C(N3CC(O)=O)=O)c1C3=O)CN2c(cc1)ccc1Br

InChI

InChI=1S/C18H18BrN5O4/c1-10-7-22(12-5-3-11(19)4-6-12)17-20-15-14(23(17)8-10)16(27)24(9-13(25)26)18(28)21(15)2/h3-6,10H,7-9H2,1-2H3,(H,25,26)/t10-/m0/s1

InChI Key

DSQJCAXCHILRJR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08048287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.28

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

2.088

Distribution Coefficient, logD

-1.789

Water Solubility, LogSw

-2.58

Polar Surface Area

73.305

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8255-1228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8255-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-1228?
Check Price and Availability of 8255-1228, 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 8255-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-1228
  • 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 8255-1228 available by request