F148-0569 Screening compound: 7-benzyl-4-methyl-N~3~-[2-(3-methyl-2-thienyl)ethyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0569 Screening compound: 7-benzyl-4-methyl-N~3~-[2-(3-methyl-2-thienyl)ethyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0569 Screening compound: 7-benzyl-4-methyl-N~3~-[2-(3-methyl-2-thienyl)ethyl]-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 F148-0569
7-benzyl-4-methyl-N~3~-[2-(3-methyl-2-thienyl)ethyl]-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

F148-0569

Molecular Formula

C25H27N5O2S (C25 H27 N5 O2 S)

Compound Name

7-benzyl-4-methyl-N~3~-[2-(3-methyl-2-thienyl)ethyl]-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-[2-(3-methylthiophen-2-yl)ethyl]-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-carboxamide

SMILES

Cc1c(CCNC(c(cnn23)c3N(C)C(CCN(Cc3ccccc3)C3)=C3C2=O)=O)scc1

InChI

InChI=1S/C25H27N5O2S/c1-17-10-13-33-22(17)8-11-26-23(31)19-14-27-30-24(19)28(2)21-9-12-29(16-20(21)25(30)32)15-18-6-4-3-5-7-18/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3,(H,26,31)

InChI Key

VTRSDXWGBTZEEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.55

Polar Surface Area

57.457

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F148-0569 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 F148-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0569?
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What is the minimum amount of F148-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0569
  • 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 F148-0569 available by request