E984-0685 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}acetamide

E984-0685 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}acetamide
E984-0685 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-0685
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}acetamide

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

E984-0685

Molecular Formula

C23H32N6O2 (C23 H32 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(CCC(N2CC(NCCCN3CCN(Cc4ccccc4)CC3)=O)=O)c2c1

InChI

InChI=1S/C23H32N6O2/c1-19-16-22-28(23(31)8-11-29(22)25-19)18-21(30)24-9-5-10-26-12-14-27(15-13-26)17-20-6-3-2-4-7-20/h2-4,6-7,16H,5,8-15,17-18H2,1H3,(H,24,30)

InChI Key

IBTZSTDEHOTWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.343

Distribution Coefficient, logD

-0.477

Water Solubility, LogSw

-1.85

Polar Surface Area

59.935

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with E984-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-0685?
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What is the minimum amount of E984-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-0685
  • 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 E984-0685 available by request