F148-0542 Screening compound: 7-benzyl-N~3~-(2-chloro-4-fluorophenyl)-4-methyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

F148-0542 Screening compound: 7-benzyl-N~3~-(2-chloro-4-fluorophenyl)-4-methyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
F148-0542 Screening compound: 7-benzyl-N~3~-(2-chloro-4-fluorophenyl)-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 F148-0542
7-benzyl-N~3~-(2-chloro-4-fluorophenyl)-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

F148-0542

Molecular Formula

C24H21ClFN5O2 (C24 H21 ClFN5 O2)

Compound Name

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

SMILES

CN(c(n1nc2)c2C(Nc(ccc(F)c2)c2Cl)=O)C(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C24H21ClFN5O2/c1-29-21-9-10-30(13-15-5-3-2-4-6-15)14-18(21)24(33)31-23(29)17(12-27-31)22(32)28-20-8-7-16(26)11-19(20)25/h2-8,11-12H,9-10,13-14H2,1H3,(H,28,32)

InChI Key

ASNHRCROXHKTRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-4.14

Polar Surface Area

54.577

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with F148-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F148-0542?
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What is the minimum amount of F148-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F148-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F148-0542
  • 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 F148-0542 available by request