M461-6447 Screening compound: ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate

M461-6447 Screening compound: ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate
M461-6447 Screening compound: ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6447
ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate

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

M461-6447

Molecular Formula

C21H28ClN5O5S (C21 H28 ClN5 O5 S)

Compound Name

ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate

IUPAC name

ethyl 2-[(3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)formamido]acetate

SMILES

CCCn(cc1C(NCC(OCC)=O)=O)nc1S(N(CC1)CCN1c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H28ClN5O5S/c1-3-9-26-15-18(20(29)23-14-19(28)32-4-2)21(24-26)33(30,31)27-12-10-25(11-13-27)17-7-5-16(22)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,29)

InChI Key

SIRJWHALPZTXLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.65

Polar Surface Area

95.130

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

M461-6447 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M461-6447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6447?
Check Price and Availability of M461-6447, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M461-6447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6447
  • 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 M461-6447 available by request