C609-0376 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide

C609-0376 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide
C609-0376 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0376
N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide

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

C609-0376

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide

IUPAC name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide

SMILES

CC(C(c1cccs1)N(CC1)CCN1c(cc1)ccc1OC)NC(C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C26H31N5O3S/c1-19(29-26(33)25(32)28-18-20-5-3-11-27-17-20)24(23-6-4-16-35-23)31-14-12-30(13-15-31)21-7-9-22(34-2)10-8-21/h3-11,16-17,19,24H,12-15,18H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

IYTZCNQJFKVAFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.18

Polar Surface Area

72.865

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

C609-0376 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C609-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0376?
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What is the minimum amount of C609-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0376
  • 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 C609-0376 available by request