C592-2381 Screening compound: N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-2381 Screening compound: N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-2381 Screening compound: N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2381
N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}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

C592-2381

Molecular Formula

C23H25N5OS (C23 H25 N5 OS)

Compound Name

N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCCCc(cc1)ccc1NC(CSc1nnc(-c2c[nH]c3c2cccc3)n1C)=O

InChI

InChI=1S/C23H25N5OS/c1-3-4-7-16-10-12-17(13-11-16)25-21(29)15-30-23-27-26-22(28(23)2)19-14-24-20-9-6-5-8-18(19)20/h5-6,8-14,24H,3-4,7,15H2,1-2H3,(H,25,29)

InChI Key

ATSIVUMIDAIWBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.36

Polar Surface Area

58.071

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C592-2381 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C592-2381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2381?
Check Price and Availability of C592-2381, 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 C592-2381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2381
  • 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 C592-2381 available by request