F994-0109 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

F994-0109 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
F994-0109 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F994-0109
2-(2,1,3-benzothiadiazole-4-sulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

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

F994-0109

Molecular Formula

C13H10N6O4S2 (C13 H10 N6 O4 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-57-dimethyl-2H4H5H6H7H-pyrazolo[34-d]pyrimidine-46-dione

SMILES

CN(c(c(C(N1C)=O)c2)nn2S(c2cccc3nsnc23)(=O)=O)C1=O

InChI

InChI=1S/C13H10N6O4S2/c1-17-11-7(12(20)18(2)13(17)21)6-19(14-11)25(22,23)9-5-3-4-8-10(9)16-24-15-8/h3-6H,1-2H3

InChI Key

OHMCEXHOWSAJAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.174

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.22

Polar Surface Area

95.071

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F994-0109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with F994-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F994-0109?
Check Price and Availability of F994-0109, 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 F994-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F994-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F994-0109
  • 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 F994-0109 available by request