C592-1993 Screening compound: N-[(4-butyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

C592-1993 Screening compound: N-[(4-butyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
C592-1993 Screening compound: N-[(4-butyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1993
N-[(4-butyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

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

C592-1993

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

N-[(4-butyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

IUPAC name

N-[(4-butyl-5-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-4-methoxybenzamide

SMILES

CCCCn1c(SCC(N(CCC2)c3c2cccc3)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H31N5O3S/c1-3-4-15-31-23(17-27-25(33)20-11-13-21(34-2)14-12-20)28-29-26(31)35-18-24(32)30-16-7-9-19-8-5-6-10-22(19)30/h5-6,8,10-14H,3-4,7,9,15-18H2,1-2H3,(H,27,33)

InChI Key

NUIABUJOPTUROK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-3.84

Polar Surface Area

72.481

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C592-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1993
  • 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 C592-1993 available by request