G541-1332 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

G541-1332 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
G541-1332 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-1332
N-[(2,4-dimethoxyphenyl)methyl]-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

G541-1332

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-1-methyl-1H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cn1nc(C(NCc(ccc(OC)c2)c2OC)=O)c2c1-c(cccc1)c1SC2

InChI

InChI=1S/C21H21N3O3S/c1-24-20-15-6-4-5-7-18(15)28-12-16(20)19(23-24)21(25)22-11-13-8-9-14(26-2)10-17(13)27-3/h4-10H,11-12H2,1-3H3,(H,22,25)

InChI Key

AYYXLNZIUTXCDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27143015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.68

Polar Surface Area

54.149

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G541-1332 in Drug Discovery

Included in Screening Libraries

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:
  • 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 G541-1332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-1332?
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What is the minimum amount of G541-1332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-1332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-1332
  • 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 G541-1332 available by request