F148-0094 Screening compound: 7-benzyl-4-ethyl-N~3~-(4-isopropylbenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0094 Screening compound: 7-benzyl-4-ethyl-N~3~-(4-isopropylbenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0094 Screening compound: 7-benzyl-4-ethyl-N~3~-(4-isopropylbenzyl)-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 F148-0094
7-benzyl-4-ethyl-N~3~-(4-isopropylbenzyl)-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

F148-0094

Molecular Formula

C29H33N5O2 (C29 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(n1nc2)c2C(NCc2ccc(C(C)C)cc2)=O)C(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C29H33N5O2/c1-4-33-26-14-15-32(18-22-8-6-5-7-9-22)19-25(26)29(36)34-28(33)24(17-31-34)27(35)30-16-21-10-12-23(13-11-21)20(2)3/h5-13,17,20H,4,14-16,18-19H2,1-3H3,(H,30,35)

InChI Key

DOROMUTWTIVKJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.989

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.30

Polar Surface Area

56.556

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

F148-0094 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 F148-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0094?
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What is the minimum amount of F148-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0094
  • 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 F148-0094 available by request