C099-0297 Screening compound: methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

C099-0297 Screening compound: methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
C099-0297 Screening compound: methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0297
methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

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

C099-0297

Molecular Formula

C18H13FN4O4S (C18 H13 FN4 O4 S)

Compound Name

methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({[1-(4-fluorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CSC(N2)=Nc(n(-c(cc3)ccc3F)nc3)c3C2=O)o1)=O

InChI

InChI=1S/C18H13FN4O4S/c1-26-17(25)14-7-6-12(27-14)9-28-18-21-15-13(16(24)22-18)8-20-23(15)11-4-2-10(19)3-5-11/h2-8H,9H2,1H3,(H,21,22,24)

InChI Key

WBNJIAXFCSKQCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.50

Polar Surface Area

77.467

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C099-0297 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C099-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0297?
Check Price and Availability of C099-0297, 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 C099-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0297
  • 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 C099-0297 available by request