G541-1176 Screening compound: 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

G541-1176 Screening compound: 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
G541-1176 Screening compound: 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-1176
8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

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

G541-1176

Molecular Formula

C25H34ClN5OS (C25 H34 ClN5 OS)

Compound Name

8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cn1nc(C(NCCCN(CC2)CCN2C2CCCCC2)=O)c2c1-c(cc(cc1)Cl)c1SC2

InChI

InChI=1S/C25H34ClN5OS/c1-29-24-20-16-18(26)8-9-22(20)33-17-21(24)23(28-29)25(32)27-10-5-11-30-12-14-31(15-13-30)19-6-3-2-4-7-19/h8-9,16,19H,2-7,10-15,17H2,1H3,(H,27,32)

InChI Key

JFNCXOFZVHXJPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27143000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-4.23

Polar Surface Area

45.892

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G541-1176 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G541-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-1176?
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What is the minimum amount of G541-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-1176
  • 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 G541-1176 available by request