E984-0451 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

E984-0451 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide
E984-0451 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-0451
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

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

E984-0451

Molecular Formula

C24H33FN6O2 (C24 H33 FN6 O2)

Compound Name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

IUPAC name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-{2-methyl-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}butanamide

SMILES

CCC(C(NCCCN(CC1)CCN1c(cc1)ccc1F)=O)N(c1cc(C)nn1CC1)C1=O

InChI

InChI=1S/C24H33FN6O2/c1-3-21(31-22-17-18(2)27-30(22)12-9-23(31)32)24(33)26-10-4-11-28-13-15-29(16-14-28)20-7-5-19(25)6-8-20/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,26,33)/t21-/m0/s1

InChI Key

RIDSHBGOGRRKHT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14935869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-2.13

Polar Surface Area

58.793

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with E984-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-0451?
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What is the minimum amount of E984-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-0451
  • 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 E984-0451 available by request