F148-0526 Screening compound: 7-benzyl-4-methyl-N~3~-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0526 Screening compound: 7-benzyl-4-methyl-N~3~-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0526 Screening compound: 7-benzyl-4-methyl-N~3~-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F148-0526
7-benzyl-4-methyl-N~3~-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

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

F148-0526

Molecular Formula

C25H25N5O2S (C25 H25 N5 O2 S)

Compound Name

7-benzyl-4-methyl-N~3~-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

IUPAC name

11-benzyl-2-methyl-N-[3-(methylsulfanyl)phenyl]-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-carboxamide

SMILES

CN(c(n1nc2)c2C(Nc2cccc(SC)c2)=O)C(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C25H25N5O2S/c1-28-22-11-12-29(15-17-7-4-3-5-8-17)16-21(22)25(32)30-24(28)20(14-26-30)23(31)27-18-9-6-10-19(13-18)33-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,31)

InChI Key

FYBHDPGTARPWAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.78

Polar Surface Area

55.275

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

F148-0526 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F148-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0526?
Check Price and Availability of F148-0526, 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 F148-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0526
  • 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 F148-0526 available by request