J079-0758 Screening compound: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one

J079-0758 Screening compound: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one
J079-0758 Screening compound: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0758
4-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one

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

J079-0758

Molecular Formula

C22H30N2O2 (C22 H30 N2 O2)

Compound Name

4-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one

IUPAC name

4-[(4-cyclohexylpiperazin-1-yl)methyl]-57-dimethyl-2H-chromen-2-one

SMILES

Cc(cc1C)cc(O2)c1C(CN(CC1)CCN1C1CCCCC1)=CC2=O

InChI

InChI=1S/C22H30N2O2/c1-16-12-17(2)22-18(14-21(25)26-20(22)13-16)15-23-8-10-24(11-9-23)19-6-4-3-5-7-19/h12-14,19H,3-11,15H2,1-2H3

InChI Key

XSUFLYSABLUBNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-4.03

Polar Surface Area

27.472

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

J079-0758 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with J079-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0758?
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What is the minimum amount of J079-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0758
  • 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 J079-0758 available by request