F148-0052 Screening compound: 7-benzyl-N~3~,4-diethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0052 Screening compound: 7-benzyl-N~3~,4-diethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0052 Screening compound: 7-benzyl-N~3~,4-diethyl-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 F148-0052
7-benzyl-N~3~,4-diethyl-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

F148-0052

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

7-benzyl-N~3~,4-diethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

IUPAC name

11-benzyl-N2-diethyl-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-carboxamide

SMILES

CCNC(c(cnn12)c2N(CC)C(CCN(Cc2ccccc2)C2)=C2C1=O)=O

InChI

InChI=1S/C21H25N5O2/c1-3-22-19(27)16-12-23-26-20(16)25(4-2)18-10-11-24(14-17(18)21(26)28)13-15-8-6-5-7-9-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,22,27)

InChI Key

YKQRFXWLIJTHMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.78

Polar Surface Area

56.453

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F148-0052 in Drug Discovery

Included in Screening Libraries

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 F148-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0052?
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What is the minimum amount of F148-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0052
  • 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 F148-0052 available by request