8255-1198 Screening compound: 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid

8255-1198 Screening compound: 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid
8255-1198 Screening compound: 2-[9-(4-ethylphenyl)-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 8255-1198
2-[9-(4-ethylphenyl)-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

8255-1198

Molecular Formula

C19H21N5O4 (C19 H21 N5 O4)

Compound Name

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

SMILES

CCc(cc1)ccc1N1c2nc(N(C)C(N(CC(O)=O)C3=O)=O)c3n2CCC1

InChI

InChI=1S/C19H21N5O4/c1-3-12-5-7-13(8-6-12)22-9-4-10-23-15-16(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

KJOMMXVIUFIXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07188947

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

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

-2.157

Water Solubility, LogSw

-2.03

Polar Surface Area

73.438

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8255-1198 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 8255-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-1198?
Check Price and Availability of 8255-1198, 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 8255-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-1198
  • 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 8255-1198 available by request