C801-0339 Screening compound: 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile

C801-0339 Screening compound: 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
C801-0339 Screening compound: 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0339
2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile

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

C801-0339

Molecular Formula

C13H8ClN5O (C13 H8 ClN5 O)

Compound Name

2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile

IUPAC name

2-[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-5-yl]acetonitrile

SMILES

N#CCN(C=Nc1c2cnn1-c(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C13H8ClN5O/c14-9-1-3-10(4-2-9)19-12-11(7-17-19)13(20)18(6-5-15)8-16-12/h1-4,7-8H,6H2

InChI Key

FNEUZBVQOGJLSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.90

Polar Surface Area

58.031

Acid Dissociation Constant (pKa)

25.32

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C801-0339 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C801-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0339?
Check Price and Availability of C801-0339, 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 C801-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0339
  • 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 C801-0339 available by request