C592-3908 Screening compound: N-(2,5-dimethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C592-3908 Screening compound: N-(2,5-dimethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C592-3908 Screening compound: N-(2,5-dimethylphenyl)-2-({4-methyl-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 C592-3908
N-(2,5-dimethylphenyl)-2-({4-methyl-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

C592-3908

Molecular Formula

C19H23N5OS (C19 H23 N5 OS)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(Cc3cccn3C)n2C)=O)c(C)cc1

InChI

InChI=1S/C19H23N5OS/c1-13-7-8-14(2)16(10-13)20-18(25)12-26-19-22-21-17(24(19)4)11-15-6-5-9-23(15)3/h5-10H,11-12H2,1-4H3,(H,20,25)

InChI Key

YLEKSHSEFHUFTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04474215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-2.73

Polar Surface Area

51.376

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C592-3908 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C592-3908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3908?
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What is the minimum amount of C592-3908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3908
  • 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 C592-3908 available by request