C592-3755 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

C592-3755 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
C592-3755 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3755
N-{[4-(2,5-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-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

C592-3755

Molecular Formula

C25H25N5O3S (C25 H25 N5 O3 S)

Compound Name

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

IUPAC name

N-{[4-(25-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

Cc1cccc(NC(CSc2nnc(CNC(c3ccco3)=O)n2-c2c(C)ccc(C)c2)=O)c1

InChI

InChI=1S/C25H25N5O3S/c1-16-6-4-7-19(12-16)27-23(31)15-34-25-29-28-22(14-26-24(32)21-8-5-11-33-21)30(25)20-13-17(2)9-10-18(20)3/h4-13H,14-15H2,1-3H3,(H,26,32)(H,27,31)

InChI Key

ZDEWWQGOKKFQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.01

Polar Surface Area

81.800

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C592-3755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3755?
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What is the minimum amount of C592-3755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3755
  • 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 C592-3755 available by request