J079-0787 Screening compound: N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide

J079-0787 Screening compound: N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide
J079-0787 Screening compound: N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0787
N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide

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

J079-0787

Molecular Formula

C25H35N3O3 (C25 H35 N3 O3)

Compound Name

N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide

IUPAC name

N-cyclohexyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}-N-methylacetamide

SMILES

CCc(cc1)cc(C(CN2CCN(CC(N(C)C3CCCCC3)=O)CC2)=C2)c1OC2=O

InChI

InChI=1S/C25H35N3O3/c1-3-19-9-10-23-22(15-19)20(16-25(30)31-23)17-27-11-13-28(14-12-27)18-24(29)26(2)21-7-5-4-6-8-21/h9-10,15-16,21H,3-8,11-14,17-18H2,1-2H3

InChI Key

NYGIHRWSUVZDDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-3.19

Polar Surface Area

42.865

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with J079-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0787?
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What is the minimum amount of J079-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0787
  • 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 J079-0787 available by request