F994-0118 Screening compound: 2-(3-chloro-4-fluorobenzenesulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

F994-0118 Screening compound: 2-(3-chloro-4-fluorobenzenesulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
F994-0118 Screening compound: 2-(3-chloro-4-fluorobenzenesulfonyl)-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 F994-0118
2-(3-chloro-4-fluorobenzenesulfonyl)-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

F994-0118

Molecular Formula

C13H10ClFN4O4S (C13 H10 ClFN4 O4 S)

Compound Name

2-(3-chloro-4-fluorobenzenesulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

IUPAC name

2-(3-chloro-4-fluorobenzenesulfonyl)-57-dimethyl-2H4H5H6H7H-pyrazolo[34-d]pyrimidine-46-dione

SMILES

CN(c(c(C(N1C)=O)c2)nn2S(c(cc2)cc(Cl)c2F)(=O)=O)C1=O

InChI

InChI=1S/C13H10ClFN4O4S/c1-17-11-8(12(20)18(2)13(17)21)6-19(16-11)24(22,23)7-3-4-10(15)9(14)5-7/h3-6H,1-2H3

InChI Key

RBRXKGYKQZECJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-3.06

Polar Surface Area

74.119

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F994-0118 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F994-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F994-0118?
Check Price and Availability of F994-0118, 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 F994-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F994-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F994-0118
  • 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 F994-0118 available by request