F994-0093 Screening compound: 2-(ethanesulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

F994-0093 Screening compound: 2-(ethanesulfonyl)-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
F994-0093 Screening compound: 2-(ethanesulfonyl)-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 F994-0093
2-(ethanesulfonyl)-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

F994-0093

Molecular Formula

C9H12N4O4S (C9 H12 N4 O4 S)

Compound Name

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

IUPAC name

2-(ethanesulfonyl)-57-dimethyl-2H4H5H6H7H-pyrazolo[34-d]pyrimidine-46-dione

SMILES

CCS(n(cc1C(N2C)=O)nc1N(C)C2=O)(=O)=O

InChI

InChI=1S/C9H12N4O4S/c1-4-18(16,17)13-5-6-7(10-13)11(2)9(15)12(3)8(6)14/h5H,4H2,1-3H3

InChI Key

XNIYBJIFNJXYKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.28

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

-0.094

Distribution Coefficient, logD

-0.094

Water Solubility, LogSw

-1.54

Polar Surface Area

74.285

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F994-0093 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F994-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F994-0093?
Check Price and Availability of F994-0093, 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 F994-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F994-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F994-0093
  • 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 F994-0093 available by request