C592-2836 Screening compound: N-(4-acetylphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C592-2836 Screening compound: N-(4-acetylphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C592-2836 Screening compound: N-(4-acetylphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2836
N-(4-acetylphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

C592-2836

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

N-(4-acetylphenyl)-2-{[4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-acetylphenyl)-2-{[4-(23-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(Cc2cccn2C)n1-c1c(C)c(C)ccc1)=O)=O

InChI

InChI=1S/C26H27N5O2S/c1-17-7-5-9-23(18(17)2)31-24(15-22-8-6-14-30(22)4)28-29-26(31)34-16-25(33)27-21-12-10-20(11-13-21)19(3)32/h5-14H,15-16H2,1-4H3,(H,27,33)

InChI Key

PPCIUUXNZCFILV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

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

4.247

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.30

Polar Surface Area

65.262

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C592-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2836
  • 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 C592-2836 available by request