C374-1962 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylphenyl)-6-(furan-2-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C374-1962 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylphenyl)-6-(furan-2-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C374-1962 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylphenyl)-6-(furan-2-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C374-1962
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylphenyl)-6-(furan-2-yl)-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

C374-1962

Molecular Formula

C25H20N4O4 (C25 H20 N4 O4)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylphenyl)-6-(furan-2-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-1-(34-dimethylphenyl)-6-(furan-2-yl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cc1)c(C)cc1-n1ncc2c1N=C(c1ccco1)N(c(cc1)cc3c1OCCO3)C2=O

InChI

InChI=1S/C25H20N4O4/c1-15-5-6-18(12-16(15)2)29-23-19(14-26-29)25(30)28(24(27-23)21-4-3-9-31-21)17-7-8-20-22(13-17)33-11-10-32-20/h3-9,12-14H,10-11H2,1-2H3

InChI Key

KHHTUGRYRAJRBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-3.83

Polar Surface Area

63.090

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C374-1962 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C374-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C374-1962?
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What is the minimum amount of C374-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C374-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C374-1962
  • 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 C374-1962 available by request