G731-0461 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

G731-0461 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
G731-0461 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0461
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

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

G731-0461

Molecular Formula

C20H21FN4OS (C20 H21 FN4 OS)

Compound Name

2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CSc1nnc(-c(cc2)ccc2F)[nH]1)=O

InChI

InChI=1S/C20H21FN4OS/c1-14(7-8-15-5-3-2-4-6-15)22-18(26)13-27-20-23-19(24-25-20)16-9-11-17(21)12-10-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,26)(H,23,24,25)/t14-/m0/s1

InChI Key

NROMKFCSNSVZQM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15030864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-3.84

Polar Surface Area

56.387

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G731-0461 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with G731-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0461?
Check Price and Availability of G731-0461, 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 G731-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0461
  • 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 G731-0461 available by request