J079-1003 Screening compound: N-(2,3-dimethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

J079-1003 Screening compound: N-(2,3-dimethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
J079-1003 Screening compound: N-(2,3-dimethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-1003
N-(2,3-dimethylphenyl)-2-{4-[(7-methyl-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

J079-1003

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

N-(2,3-dimethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

IUPAC name

N-(23-dimethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide

SMILES

Cc(cc1)cc(O2)c1C(CN1CCN(CC(Nc3c(C)c(C)ccc3)=O)CC1)=CC2=O

InChI

InChI=1S/C25H29N3O3/c1-17-7-8-21-20(14-25(30)31-23(21)13-17)15-27-9-11-28(12-10-27)16-24(29)26-22-6-4-5-18(2)19(22)3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,26,29)

InChI Key

ZSACAWDLJZKALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.83

Polar Surface Area

50.370

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with J079-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-1003?
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What is the minimum amount of J079-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-1003
  • 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 J079-1003 available by request