C374-1657 Screening compound: 1-(4-CHLOROPHENYL)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE

C374-1657 Screening compound: 1-(4-CHLOROPHENYL)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
C374-1657 Screening compound: 1-(4-CHLOROPHENYL)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C374-1657
1-(4-CHLOROPHENYL)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-METHYL-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

C374-1657

Molecular Formula

C20H15ClN4O3 (C20 H15 ClN4 O3)

Compound Name

1-(4-CHLOROPHENYL)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE

IUPAC name

n/a

SMILES

CC(N1c(cc2)cc3c2OCCO3)=Nc(n(-c(cc2)ccc2Cl)nc2)c2C1=O

InChI

InChI=1S/C20H15ClN4O3/c1-12-23-19-16(11-22-25(19)14-4-2-13(21)3-5-14)20(26)24(12)15-6-7-17-18(10-15)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3

InChI Key

OWEGWOBULUVGQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11503125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.850

Water Solubility, LogSw

-3.41

Polar Surface Area

53.548

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C374-1657 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C374-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C374-1657?
Check Price and Availability of C374-1657, 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 C374-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C374-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C374-1657
  • 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 C374-1657 available by request