G541-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

G541-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
G541-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-0413
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,8-dimethyl-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

G541-0413

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,8-dimethyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-18-dimethyl-1H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cc(cc1)cc-2c1SCc1c2n(C)nc1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C21H19N3O3S/c1-12-3-6-18-14(9-12)20-15(11-28-18)19(23-24(20)2)21(25)22-13-4-5-16-17(10-13)27-8-7-26-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)

InChI Key

FQIVEVDZTAHLBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.48

Polar Surface Area

53.476

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G541-0413 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G541-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-0413?
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What is the minimum amount of G541-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-0413
  • 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 G541-0413 available by request