C677-0106 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C677-0106 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C677-0106 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0106
N-(5-chloro-2-methoxyphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-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

C677-0106

Molecular Formula

C24H24ClN5O2S (C24 H24 ClN5 O2 S)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(Nc(cc(cc2)Cl)c2OC)=O)nnc1Cc1cccn1C

InChI

InChI=1S/C24H24ClN5O2S/c1-16-6-9-18(10-7-16)30-22(14-19-5-4-12-29(19)2)27-28-24(30)33-15-23(31)26-20-13-17(25)8-11-21(20)32-3/h4-13H,14-15H2,1-3H3,(H,26,31)

InChI Key

FJFMWFYGPQILNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.69

Polar Surface Area

58.668

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C677-0106 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 C677-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0106
  • 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 C677-0106 available by request