C592-3754 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide

C592-3754 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
C592-3754 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3754
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl]furan-2-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

C592-3754

Molecular Formula

C26H25N5O3S (C26 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCC(N(CC3)c4c3cccc4)=O)nnc2CNC(c2ccco2)=O)c1C

InChI

InChI=1S/C26H25N5O3S/c1-17-7-5-10-20(18(17)2)31-23(15-27-25(33)22-11-6-14-34-22)28-29-26(31)35-16-24(32)30-13-12-19-8-3-4-9-21(19)30/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,33)

InChI Key

HHEQTMORUZAQEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04417452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.91

Polar Surface Area

74.074

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C592-3754 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C592-3754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3754
  • 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 C592-3754 available by request