8255-1196 Screening compound: 2-[9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid

8255-1196 Screening compound: 2-[9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid
8255-1196 Screening compound: 2-[9-(3,4-dimethylphenyl)-1-methyl-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 8255-1196
2-[9-(3,4-dimethylphenyl)-1-methyl-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

8255-1196

Molecular Formula

C19H21N5O4 (C19 H21 N5 O4)

Compound Name

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

IUPAC name

2-[9-(34-dimethylphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetic acid

SMILES

Cc(cc1)c(C)cc1N1c2nc(N(C)C(N(CC(O)=O)C3=O)=O)c3n2CCC1

InChI

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

InChI Key

OFBYWNZJUPGDBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397225

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

1.896

Distribution Coefficient, logD

-1.980

Water Solubility, LogSw

-2.22

Polar Surface Area

73.438

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8255-1196 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8255-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-1196?
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What is the minimum amount of 8255-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-1196
  • 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 8255-1196 available by request