C592-3453 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide

C592-3453 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
C592-3453 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3453
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]thiophene-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

C592-3453

Molecular Formula

C24H21N5O2S2 (C24 H21 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c2cccs2)=O)n1-c1ccccc1)N(CC1)c2c1cccc2

InChI

InChI=1S/C24H21N5O2S2/c30-22(28-13-12-17-7-4-5-10-19(17)28)16-33-24-27-26-21(29(24)18-8-2-1-3-9-18)15-25-23(31)20-11-6-14-32-20/h1-11,14H,12-13,15-16H2,(H,25,31)

InChI Key

DJFUEXWLRUOKAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.6

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

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.66

Polar Surface Area

66.815

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C592-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3453?
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What is the minimum amount of C592-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3453
  • 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 C592-3453 available by request