G541-1100 Screening compound: 8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

G541-1100 Screening compound: 8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
G541-1100 Screening compound: 8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-1100
8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}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

G541-1100

Molecular Formula

C26H29ClN4OS (C26 H29 ClN4 OS)

Compound Name

8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(c3nn(C)c-4c3CSc(cc3)c4cc3Cl)=O)CC2)cc1

InChI

InChI=1S/C26H29ClN4OS/c1-17-3-5-19(6-4-17)15-31-11-9-18(10-12-31)14-28-26(32)24-22-16-33-23-8-7-20(27)13-21(23)25(22)30(2)29-24/h3-8,13,18H,9-12,14-16H2,1-2H3,(H,28,32)

InChI Key

QBLLSYWEOBVXTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-4.71

Polar Surface Area

42.707

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G541-1100 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 G541-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-1100?
Check Price and Availability of G541-1100, 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 G541-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-1100
  • 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 G541-1100 available by request