G541-0820 Screening compound: 1-{8-chloro-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}azepane

G541-0820 Screening compound: 1-{8-chloro-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}azepane
G541-0820 Screening compound: 1-{8-chloro-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-0820
1-{8-chloro-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}azepane

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

G541-0820

Molecular Formula

C18H20ClN3OS (C18 H20 ClN3 OS)

Compound Name

1-{8-chloro-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carbonyl}azepane

IUPAC name

1-{8-chloro-1-methyl-1H4H-thiochromeno[43-c]pyrazole-3-carbonyl}azepane

SMILES

Cn1nc(C(N2CCCCCC2)=O)c2c1-c(cc(cc1)Cl)c1SC2

InChI

InChI=1S/C18H20ClN3OS/c1-21-17-13-10-12(19)6-7-15(13)24-11-14(17)16(20-21)18(23)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3

InChI Key

VEVHPHOYNXJGEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.25

Polar Surface Area

31.541

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G541-0820 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G541-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-0820?
Check Price and Availability of G541-0820, 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 G541-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-0820
  • 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 G541-0820 available by request