G856-2501 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

G856-2501 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
G856-2501 Screening compound: 2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2501
2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

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

G856-2501

Molecular Formula

C17H13FN6O3S (C17 H13 FN6 O3 S)

Compound Name

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

IUPAC name

2-{[1-(4-fluorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSC(N2)=Nc(n(-c(cc3)ccc3F)nc3)c3C2=O)=O)no1

InChI

InChI=1S/C17H13FN6O3S/c1-9-6-13(23-27-9)20-14(25)8-28-17-21-15-12(16(26)22-17)7-19-24(15)11-4-2-10(18)3-5-11/h2-7H,8H2,1H3,(H,20,23,25)(H,21,22,26)

InChI Key

ITJYCCGRHUUYNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.99

Polar Surface Area

93.396

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G856-2501 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-2501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2501?
Check Price and Availability of G856-2501, 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 G856-2501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2501
  • 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 G856-2501 available by request