F148-0566 Screening compound: 7-benzyl-N~3~-(4-ethoxybenzyl)-4-methyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0566 Screening compound: 7-benzyl-N~3~-(4-ethoxybenzyl)-4-methyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0566 Screening compound: 7-benzyl-N~3~-(4-ethoxybenzyl)-4-methyl-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 F148-0566
7-benzyl-N~3~-(4-ethoxybenzyl)-4-methyl-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

F148-0566

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNC(c(cnn23)c3N(C)C(CCN(Cc3ccccc3)C3)=C3C2=O)=O)cc1

InChI

InChI=1S/C27H29N5O3/c1-3-35-21-11-9-19(10-12-21)15-28-25(33)22-16-29-32-26(22)30(2)24-13-14-31(18-23(24)27(32)34)17-20-7-5-4-6-8-20/h4-12,16H,3,13-15,17-18H2,1-2H3,(H,28,33)

InChI Key

UCBWSRDQGNVDCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.42

Polar Surface Area

63.720

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

F148-0566 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F148-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0566?
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What is the minimum amount of F148-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0566
  • 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 F148-0566 available by request