G541-0529 Screening compound: 1,8-dimethyl-N-(3-methylbutyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

G541-0529 Screening compound: 1,8-dimethyl-N-(3-methylbutyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
G541-0529 Screening compound: 1,8-dimethyl-N-(3-methylbutyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G541-0529
1,8-dimethyl-N-(3-methylbutyl)-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

G541-0529

Molecular Formula

C18H23N3OS (C18 H23 N3 OS)

Compound Name

1,8-dimethyl-N-(3-methylbutyl)-1H,4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

18-dimethyl-N-(3-methylbutyl)-1H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

CC(C)CCNC(c1nn(C)c-2c1CSc1c2cc(C)cc1)=O

InChI

InChI=1S/C18H23N3OS/c1-11(2)7-8-19-18(22)16-14-10-23-15-6-5-12(3)9-13(15)17(14)21(4)20-16/h5-6,9,11H,7-8,10H2,1-4H3,(H,19,22)

InChI Key

HAMUQWGSQOLMDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-3.85

Polar Surface Area

39.088

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G541-0529 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G541-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G541-0529?
Check Price and Availability of G541-0529, 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 G541-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G541-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G541-0529
  • 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 G541-0529 available by request