8020-0022 Screening compound: 1-methyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

8020-0022 Screening compound: 1-methyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
8020-0022 Screening compound: 1-methyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0022
1-methyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic 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

8020-0022

Molecular Formula

C9H9N3O5 (C9 H9 N3 O5)

Compound Name

1-methyl-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

IUPAC name

1-methyl-247-trioxo-1H2H3H4H5H6H7H8H-pyrido[23-d]pyrimidine-5-carboxylic acid

SMILES

CN(C(NC(CC1C(O)=O)=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C9H9N3O5/c1-12-6-5(7(14)11-9(12)17)3(8(15)16)2-4(13)10-6/h3H,2H2,1H3,(H,10,13)(H,15,16)(H,11,14,17)/t3-/m0/s1

InChI Key

LCNDDURTYQIASB-VKHMYHEASA-N

MDL Number (MFCD)

MFCD09754814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.825

Distribution Coefficient, logD

-4.392

Water Solubility, LogSw

-1.14

Polar Surface Area

93.471

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8020-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8020-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0022?
Check Price and Availability of 8020-0022, 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 8020-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0022
  • 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 8020-0022 available by request