8578-0231 Screening compound: 4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-9-yl}benzene-1-sulfonamide

8578-0231 Screening compound: 4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-9-yl}benzene-1-sulfonamide
8578-0231 Screening compound: 4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-9-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8578-0231
4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-9-yl}benzene-1-sulfonamide

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

8578-0231

Molecular Formula

C15H16N6O4S (C15 H16 N6 O4 S)

Compound Name

4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-9-yl}benzene-1-sulfonamide

IUPAC name

4-{1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-9-yl}benzene-1-sulfonamide

SMILES

CN(c1c(C(N2)=O)n(CCCN3c(cc4)ccc4S(N)(=O)=O)c3n1)C2=O

InChI

InChI=1S/C15H16N6O4S/c1-19-12-11(13(22)18-15(19)23)21-8-2-7-20(14(21)17-12)9-3-5-10(6-4-9)26(16,24)25/h3-6H,2,7-8H2,1H3,(H2,16,24,25)(H,18,22,23)

InChI Key

RTHLOITUVXSAAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08542197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-2.17

Polar Surface Area

104.337

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8578-0231 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Kinases
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8578-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8578-0231?
Check Price and Availability of 8578-0231, 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 8578-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8578-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8578-0231
  • 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 8578-0231 available by request