C801-0427 Screening compound: 5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0427 Screening compound: 5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0427 Screening compound: 5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0427
5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

C801-0427

Molecular Formula

C18H12BrFN4O (C18 H12 BrFN4 O)

Compound Name

5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1N(Cc(cc2)ccc2Br)C=Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C18H12BrFN4O/c19-13-3-1-12(2-4-13)10-23-11-21-17-16(18(23)25)9-22-24(17)15-7-5-14(20)6-8-15/h1-9,11H,10H2

InChI Key

DBOWCJPMWFQZEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.99

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

29.31

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C801-0427 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C801-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0427?
Check Price and Availability of C801-0427, 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 C801-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0427
  • 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 C801-0427 available by request