C592-1992 Screening compound: N-[(4-butyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

C592-1992 Screening compound: N-[(4-butyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
C592-1992 Screening compound: N-[(4-butyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1992
N-[(4-butyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]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

C592-1992

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

N-[(4-butyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

IUPAC name

N-[(4-butyl-5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-4-methoxybenzamide

SMILES

CCCCn1c(SCC(N(CC2)c3c2cccc3)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C25H29N5O3S/c1-3-4-14-30-22(16-26-24(32)19-9-11-20(33-2)12-10-19)27-28-25(30)34-17-23(31)29-15-13-18-7-5-6-8-21(18)29/h5-12H,3-4,13-17H2,1-2H3,(H,26,32)

InChI Key

DPSZDCCTXGMLIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

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

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.67

Polar Surface Area

72.847

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C592-1992 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C592-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C592-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1992
  • 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 C592-1992 available by request