J079-0951 Screening compound: N-cyclopentyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

J079-0951 Screening compound: N-cyclopentyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
J079-0951 Screening compound: N-cyclopentyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0951
N-cyclopentyl-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-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

J079-0951

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)cc(C(CN2CCN(CC(NC3CCCC3)=O)CC2)=C2)c1OC2=O

InChI

InChI=1S/C23H31N3O3/c1-2-17-7-8-21-20(13-17)18(14-23(28)29-21)15-25-9-11-26(12-10-25)16-22(27)24-19-5-3-4-6-19/h7-8,13-14,19H,2-6,9-12,15-16H2,1H3,(H,24,27)

InChI Key

ZOCYZKMUQXCZBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.37

Polar Surface Area

52.482

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

J079-0951 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 J079-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0951?
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What is the minimum amount of J079-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0951
  • 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 J079-0951 available by request