C592-3189 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]benzamide

C592-3189 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]benzamide
C592-3189 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3189
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]benzamide

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

C592-3189

Molecular Formula

C27H25N5O2S (C27 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCC(N(CC3)c4c3cccc4)=O)nnc2CNC(c2ccccc2)=O)c1

InChI

InChI=1S/C27H25N5O2S/c1-19-8-7-12-22(16-19)32-24(17-28-26(34)21-10-3-2-4-11-21)29-30-27(32)35-18-25(33)31-15-14-20-9-5-6-13-23(20)31/h2-13,16H,14-15,17-18H2,1H3,(H,28,34)

InChI Key

TWSQLWNJWLQZIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.07

Polar Surface Area

65.797

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C592-3189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3189?
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What is the minimum amount of C592-3189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3189
  • 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 C592-3189 available by request