C374-2262 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C374-2262 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C374-2262 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C374-2262
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)-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

C374-2262

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(N1c(cc2)cc3c2OCCO3)=Nc(n(-c2ccc(C)cc2)nc2)c2C1=O

InChI

InChI=1S/C22H20N4O3/c1-3-20-24-21-17(13-23-26(21)15-6-4-14(2)5-7-15)22(27)25(20)16-8-9-18-19(12-16)29-11-10-28-18/h4-9,12-13H,3,10-11H2,1-2H3

InChI Key

SUJZDVOTEPJGLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11503102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.08

Polar Surface Area

54.639

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

C374-2262 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C374-2262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C374-2262?
Check Price and Availability of C374-2262, 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 C374-2262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C374-2262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C374-2262
  • 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 C374-2262 available by request