G541-0538 Screening compound: 1-cyclohexyl-4-{1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}piperazine

G541-0538 Screening compound: 1-cyclohexyl-4-{1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}piperazine
G541-0538 Screening compound: 1-cyclohexyl-4-{1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-0538
1-cyclohexyl-4-{1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}piperazine

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

G541-0538

Molecular Formula

C23H30N4OS (C23 H30 N4 OS)

Compound Name

1-cyclohexyl-4-{1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}piperazine

IUPAC name

1-cyclohexyl-4-{18-dimethyl-1H4H-thiochromeno[43-c]pyrazole-3-carbonyl}piperazine

SMILES

Cc(cc1)cc-2c1SCc1c2n(C)nc1C(N(CC1)CCN1C1CCCCC1)=O

InChI

InChI=1S/C23H30N4OS/c1-16-8-9-20-18(14-16)22-19(15-29-20)21(24-25(22)2)23(28)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13,15H2,1-2H3

InChI Key

YCNWOTQATGASRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.83

Polar Surface Area

34.303

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

G541-0538 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G541-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-0538?
Check Price and Availability of G541-0538, 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 G541-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-0538
  • 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 G541-0538 available by request